5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine

C124H170ClF4N19O3 — CID 161208096

IUPAC5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(=O)Nc1ccc(C(C)C)cc1C.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N=[N+]=[N-])cn1.CC(C)c1cccc(N)n1.CC(C)c1cccc[n+]1[O-].CC(C)c1cncc(C(N)=O)c1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C12H17NO.C9H10F3N.C9H12N2O.6C9H13N.C8H10ClN.C8H10FN.C8H10N4.C8H12N2.C8H11NO/c1-8(2)11-5-6-12(9(3)7-11)13-10(4)14;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-8(9(10)12)5-11-4-7;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;3*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-4-3-7(5-10-8)11-12-9;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9(8)10/h5-8H,1-4H3,(H,13,14);3-6H,1-2H3;3-6H,1-2H3,(H2,10,12);6*4-7H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);3-7H,1-2H3
InChIKeyUVWGQNNSOVHNRZ-UHFFFAOYSA-N
MW2086.30 g/mol
LogP34.26
Rot. Bonds17

About 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine

5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 161208096) has the molecular formula C124H170ClF4N19O3 and a molecular weight of 2086.30 g/mol. Its IUPAC name is 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID161208096
Molecular FormulaC124H170ClF4N19O3
Molecular Weight2086.30 g/mol
Exact Mass2084.34
IUPAC Name5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(=O)Nc1ccc(C(C)C)cc1C.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N=[N+]=[N-])cn1.CC(C)c1cccc(N)n1.CC(C)c1cccc[n+]1[O-].CC(C)c1cncc(C(N)=O)c1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C12H17NO.C9H10F3N.C9H12N2O.6C9H13N.C8H10ClN.C8H10FN.C8H10N4.C8H12N2.C8H11NO/c1-8(2)11-5-6-12(9(3)7-11)13-10(4)14;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-8(9(10)12)5-11-4-7;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;3*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-4-3-7(5-10-8)11-12-9;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9(8)10/h5-8H,1-4H3,(H,13,14);3-6H,1-2H3;3-6H,1-2H3,(H2,10,12);6*4-7H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);3-7H,1-2H3
InChIKeyUVWGQNNSOVHNRZ-UHFFFAOYSA-N
XLogP34.26
TPSA328.59 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002086.30
LogP ≤ 534.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-6-[4-(trifluoromethyl)anilino]pyrimidin-5-yl]-2-ethylpyridine-3-carboxamide;6-chloro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;2-ethylpyridine-3-carbonyl chloride
CID 157514992
7-[2-Amino-3,4,6-trifluoro-5-(trifluoromethyl)phenyl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
CID 157536850
6-amino-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-[2-(diethylamino)ethyl]-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide)
CID 157595965
2-chloro-5-fluoro-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide;5-fluoro-N-(4-phenyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;5-(trifluoromethyl)pyridin-2-amine
CID 157672712
2-[6-Chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorobenzamide;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one;7-(5-cyclopropyl-2-fluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 157767717
7-(2-Amino-3,4,5,6-tetrafluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;bis(7-[2-amino-3,4,6-trifluoro-5-(trifluoromethyl)phenyl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile)
CID 159415751
(2-amino-5-chloro-3-pyridinyl)-[6-[(3S,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 159468485
N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 159737376
(2-amino-5-chloro-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 159828358
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);pyridin-3-amine
CID 160141058
[2-[[(5-Chloro-2-pyridinyl)amino]methyl]-4,4-difluoropiperidin-1-yl]-quinolin-8-ylmethanone
CID 160625467
4-N-(3-chloro-4-fluorophenyl)-5-methyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;6-(3-chloro-4-fluorophenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;N,N-dimethyl-2-[[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzamide
CID 160732396

Frequently Asked Questions

What is the IUPAC name of 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 161208096) is 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine is CC(=O)Nc1ccc(C(C)C)cc1C.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N=[N+]=[N-])cn1.CC(C)c1cccc(N)n1.CC(C)c1cccc[n+]1[O-].CC(C)c1cncc(C(N)=O)c1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.
What is the InChIKey of 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is UVWGQNNSOVHNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C9H10F3N.C9H12N2O.6C9H13N.C8H10ClN.C8H10FN.C8H10N4.C8H12N2.C8H11NO/c1-8(2)11-5-6-12(9(3)7-11)13-10(4)14;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-8(9(10)12)5-11-4-7;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;3*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-4-3-7(5-10-8)11-12-9;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9(8)10/h5-8H,1-4H3,(H,13,14);3-6H,1-2H3;3-6H,1-2H3,(H2,10,12);6*4-7H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);3-7H,1-2H3.
What are the key properties of 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine?
5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 2086.30 g/mol, XLogP of 34.26, 17 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 161208096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).