6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid

C45H35Cl3F6N4O10 — CID 159281844

IUPAC6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(N)nc1Cl.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C17H13ClF2N2O3.C11H7ClF2O3.C11H8F2O4.C6H7ClN2/c1-9-2-5-13(21-14(9)18)22-15(23)16(6-7-16)10-3-4-11-12(8-10)25-17(19,20)24-11;12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;12-11(13)16-7-2-1-6(5-8(7)17-11)10(3-4-10)9(14)15;1-4-2-3-5(8)9-6(4)7/h2-5,8H,6-7H2,1H3,(H,21,22,23);1-2,5H,3-4H2;1-2,5H,3-4H2,(H,14,15);2-3H,1H3,(H2,8,9)
InChIKeyKYZXGNXPAHVZMS-UHFFFAOYSA-N
MW1012.14 g/mol
LogP10.59
Rot. Bonds7

About 6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid

6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 159281844) has the molecular formula C45H35Cl3F6N4O10 and a molecular weight of 1012.14 g/mol. Its IUPAC name is 6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID159281844
Molecular FormulaC45H35Cl3F6N4O10
Molecular Weight1012.14 g/mol
Exact Mass1010.13
IUPAC Name6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(N)nc1Cl.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C17H13ClF2N2O3.C11H7ClF2O3.C11H8F2O4.C6H7ClN2/c1-9-2-5-13(21-14(9)18)22-15(23)16(6-7-16)10-3-4-11-12(8-10)25-17(19,20)24-11;12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;12-11(13)16-7-2-1-6(5-8(7)17-11)10(3-4-10)9(14)15;1-4-2-3-5(8)9-6(4)7/h2-5,8H,6-7H2,1H3,(H,21,22,23);1-2,5H,3-4H2;1-2,5H,3-4H2,(H,14,15);2-3H,1H3,(H2,8,9)
InChIKeyKYZXGNXPAHVZMS-UHFFFAOYSA-N
XLogP10.59
TPSA190.65 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001012.14
LogP ≤ 510.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid 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-(6-chloro-5-methylpyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide
CID 59165796
N-(6-chloro-5-ethylpyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 59165835
1-(3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-carboxamido)-3-methylpyridin-2-yl)phenyl)cyclopropanecarboxylic acid
CID 59166284
N-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 87282755
N-(6-chloro-4,5-dimethylpyridin-2-yl)-1-(2,2-difluorobenzo [d][1,3]dioxol-5-yl)cyclopropanecarboxamide
CID 89228784
N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
CID 123480864
3-[[2-(3-Carboxy-5-fluorophenyl)-6-[[2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpropanoyl]amino]pyridin-3-yl]methyl]-5-[6-[[2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpropanoyl]amino]-3-methylpyridin-2-yl]-4-fluorobenzoic acid
CID 123810418
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-phenylcyclopentane-1-carboxamide
CID 144274630
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-phenylcyclopentane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide
CID 144274764
3-[6-[[2-(2,2-Difluoro-1,3-benzodioxol-5-yl)-2-methylpropanoyl]amino]-3-methyl-2-pyridinyl]-4-fluorobenzoic acid;3-[6-[[2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpropanoyl]amino]-3-methyl-2-pyridinyl]-5-fluorobenzoic acid;ethane
CID 144746879
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(5-methyl-6-methylchloranuidyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 149567304
N-(6-chloro-4,5-dimethyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(6-methoxy-2-methyl-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157218311

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid (CID 159281844) is 6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid is Cc1ccc(N)nc1Cl.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1Cl.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.
What is the InChIKey of 6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is KYZXGNXPAHVZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O3.C11H7ClF2O3.C11H8F2O4.C6H7ClN2/c1-9-2-5-13(21-14(9)18)22-15(23)16(6-7-16)10-3-4-11-12(8-10)25-17(19,20)24-11;12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;12-11(13)16-7-2-1-6(5-8(7)17-11)10(3-4-10)9(14)15;1-4-2-3-5(8)9-6(4)7/h2-5,8H,6-7H2,1H3,(H,21,22,23);1-2,5H,3-4H2;1-2,5H,3-4H2,(H,14,15);2-3H,1H3,(H2,8,9).
What are the key properties of 6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid?
6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 1012.14 g/mol, XLogP of 10.59, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methylpyridin-2-amine;N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 159281844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).