2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide

C23H20F2N4O2 — CID 118065427

IUPAC2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1cccnc1-c1ccccc1)c1ccnc(NC(=O)[C@H]2CCC(F)(F)C2)c1
InChIInChI=1S/C23H20F2N4O2/c24-23(25)10-8-17(14-23)22(31)29-19-13-16(9-12-26-19)21(30)28-18-7-4-11-27-20(18)15-5-2-1-3-6-15/h1-7,9,11-13,17H,8,10,14H2,(H,28,30)(H,26,29,31)/t17-/m0/s1
InChIKeyPAVBPEPXFLIMIX-KRWDZBQOSA-N
MW422.44 g/mol
LogP4.77
Rot. Bonds5

About 2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide

2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 118065427) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID118065427
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1cccnc1-c1ccccc1)c1ccnc(NC(=O)[C@H]2CCC(F)(F)C2)c1
InChIInChI=1S/C23H20F2N4O2/c24-23(25)10-8-17(14-23)22(31)29-19-13-16(9-12-26-19)21(30)28-18-7-4-11-27-20(18)15-5-2-1-3-6-15/h1-7,9,11-13,17H,8,10,14H2,(H,28,30)(H,26,29,31)/t17-/m0/s1
InChIKeyPAVBPEPXFLIMIX-KRWDZBQOSA-N
XLogP4.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide 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-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide
CID 118071052
2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 122583837
2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064729
N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114226135
6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid
CID 114226167
(2-phenyl-3-pyridinyl)carbamic acid
CID 67312997
N-[6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-1,2-didehydropyridin-1-ium-3-yl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide
CID 123310403
3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide
CID 132971349
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide
CID 154843850
2-(cyclopropanecarbonylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 136541919

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide (CID 118065427) is 2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide is O=C(Nc1cccnc1-c1ccccc1)c1ccnc(NC(=O)[C@H]2CCC(F)(F)C2)c1.
What is the InChIKey of 2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is PAVBPEPXFLIMIX-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c24-23(25)10-8-17(14-23)22(31)29-19-13-16(9-12-26-19)21(30)28-18-7-4-11-27-20(18)15-5-2-1-3-6-15/h1-7,9,11-13,17H,8,10,14H2,(H,28,30)(H,26,29,31)/t17-/m0/s1.
What are the key properties of 2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide?
2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 118065427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).