1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride

C47H41ClF4N6O8 — CID 159272622

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ncccc1-c1nc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc(C)c1C.Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(-c2ccc[nH]c2=O)c1C.Cl
InChIInChI=1S/C24H21F2N3O4.C23H19F2N3O4.ClH/c1-13-11-19(28-20(14(13)2)16-5-4-10-27-21(16)31-3)29-22(30)23(8-9-23)15-6-7-17-18(12-15)33-24(25,26)32-17;1-12-10-18(27-19(13(12)2)15-4-3-9-26-20(15)29)28-21(30)22(7-8-22)14-5-6-16-17(11-14)32-23(24,25)31-16;/h4-7,10-12H,8-9H2,1-3H3,(H,28,29,30);3-6,9-11H,7-8H2,1-2H3,(H,26,29)(H,27,28,30);1H
InChIKeyCTMNYWLBNFUXLY-UHFFFAOYSA-N
MW929.32 g/mol
LogP9.23
Rot. Bonds9

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 159272622) has the molecular formula C47H41ClF4N6O8 and a molecular weight of 929.32 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID159272622
Molecular FormulaC47H41ClF4N6O8
Molecular Weight929.32 g/mol
Exact Mass928.26
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ncccc1-c1nc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc(C)c1C.Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(-c2ccc[nH]c2=O)c1C.Cl
InChIInChI=1S/C24H21F2N3O4.C23H19F2N3O4.ClH/c1-13-11-19(28-20(14(13)2)16-5-4-10-27-21(16)31-3)29-22(30)23(8-9-23)15-6-7-17-18(12-15)33-24(25,26)32-17;1-12-10-18(27-19(13(12)2)15-4-3-9-26-20(15)29)28-21(30)22(7-8-22)14-5-6-16-17(11-14)32-23(24,25)31-16;/h4-7,10-12H,8-9H2,1-3H3,(H,28,29,30);3-6,9-11H,7-8H2,1-2H3,(H,26,29)(H,27,28,30);1H
InChIKeyCTMNYWLBNFUXLY-UHFFFAOYSA-N
XLogP9.23
TPSA175.88 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500929.32
LogP ≤ 59.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride 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

Tert-butyl (3-(3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamido)propyl)carbamate
CID 162624794
N-(4-aminobutyl)-3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamide
CID 162624796
N-(6-aminohexyl)-3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamide
CID 162624799
Tert-butyl (4-(3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamido)butyl)carbamate
CID 162624800
Tert-butyl (6-(3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamido)hexyl)carbamate
CID 162624816
N-(5-aminopentyl)-3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamide
CID 162624818
N-(3-aminopropyl)-3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamide
CID 162624839
N-(2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)ethyl)-3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamide
CID 162624850
Tert-butyl (5-(3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamido)pentyl)carbamate
CID 162624851
1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyridin-2-yl]cyclopropane-1-carboxamide
CID 16678622
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[5-(hydroxymethyl)-6-oxo-1H-pyridin-3-yl]-5-methylpyridin-2-yl]cyclopropane-1-carboxamide
CID 25117651
1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-n-(2'-methoxy-4-methyl-2,4'-bipyridin-6-yl)cyclopropanecarboxamide
CID 25118017

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride (CID 159272622) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride is COc1ncccc1-c1nc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc(C)c1C.Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc(-c2ccc[nH]c2=O)c1C.Cl.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is CTMNYWLBNFUXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O4.C23H19F2N3O4.ClH/c1-13-11-19(28-20(14(13)2)16-5-4-10-27-21(16)31-3)29-22(30)23(8-9-23)15-6-7-17-18(12-15)33-24(25,26)32-17;1-12-10-18(27-19(13(12)2)15-4-3-9-26-20(15)29)28-21(30)22(7-8-22)14-5-6-16-17(11-14)32-23(24,25)31-16;/h4-7,10-12H,8-9H2,1-3H3,(H,28,29,30);3-6,9-11H,7-8H2,1-2H3,(H,26,29)(H,27,28,30);1H.
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 929.32 g/mol, XLogP of 9.23, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[4,5-dimethyl-6-(2-oxo-1H-pyridin-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-(2-methoxy-3-pyridinyl)-4,5-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 159272622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).