2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide

C23H24F7N3O — CID 167204951

IUPAC2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide
SMILESCCCN(c1cc(C(F)(F)F)cc(C(F)(F)F)n1)C(CC1CC1)C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C23H24F7N3O/c1-3-10-33(20-13-15(22(25,26)27)12-19(31-20)23(28,29)30)18(11-14-4-5-14)21(34)32(2)17-8-6-16(24)7-9-17/h6-9,12-14,18H,3-5,10-11H2,1-2H3
InChIKeyYPYCISHXQUCTTA-UHFFFAOYSA-N
MW491.45 g/mol
LogP6.31
Rot. Bonds8

About 2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide

2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide (PubChem CID 167204951) has the molecular formula C23H24F7N3O and a molecular weight of 491.45 g/mol. Its IUPAC name is 2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide
PubChem CID167204951
Molecular FormulaC23H24F7N3O
Molecular Weight491.45 g/mol
Exact Mass491.18
IUPAC Name2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide
SMILESCCCN(c1cc(C(F)(F)F)cc(C(F)(F)F)n1)C(CC1CC1)C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C23H24F7N3O/c1-3-10-33(20-13-15(22(25,26)27)12-19(31-20)23(28,29)30)18(11-14-4-5-14)21(34)32(2)17-8-6-16(24)7-9-17/h6-9,12-14,18H,3-5,10-11H2,1-2H3
InChIKeyYPYCISHXQUCTTA-UHFFFAOYSA-N
XLogP6.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.45
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide 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

(4S)-1-[4,6-bis(trifluoromethyl)-2-pyridinyl]-N-(4-fluorophenyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 169073265
N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide
CID 170257022
3-fluoro-N-[[4-[(2-fluoro-3-pyridinyl)-methylamino]cyclohexyl]methyl]-5-(trifluoromethyl)benzamide
CID 68985577
(2R)-2-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-N-methyl-N-phenylhexanamide
CID 53488220
N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide
CID 143560356
4-amino-N-(4-fluorophenyl)-N,2-dimethylbutanamide
CID 80543840
2-[cyclopropylmethyl(propyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63514861
(2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide
CID 97205289
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide
CID 79615312
2-cyclopropyl-2-(4-fluorophenyl)-N-methyl-N-phenylacetamide
CID 110355956
2-ethyl-4,6-bis(trifluoromethyl)pyridine
CID 133094723
(E)-5-[[(1S,3R)-3-(4-fluorophenyl)cyclohexyl]methyl-methylamino]hept-4-en-3-one;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
CID 143085506

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide?
The IUPAC name of 2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide (CID 167204951) is 2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for 2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for 2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide is CCCN(c1cc(C(F)(F)F)cc(C(F)(F)F)n1)C(CC1CC1)C(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of 2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide?
The InChIKey is YPYCISHXQUCTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F7N3O/c1-3-10-33(20-13-15(22(25,26)27)12-19(31-20)23(28,29)30)18(11-14-4-5-14)21(34)32(2)17-8-6-16(24)7-9-17/h6-9,12-14,18H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide?
2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide has a molecular weight of 491.45 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(trifluoromethyl)-2-pyridinyl]-propylamino]-3-cyclopropyl-N-(4-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 167204951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).