N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide

C23H19ClF2N4O2 — CID 118071052

IUPACN-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide
SMILESO=C(Nc1cncc(-c2ccccc2Cl)c1)c1ccnc(NC(=O)C2CCC(F)(F)C2)c1
InChIInChI=1S/C23H19ClF2N4O2/c24-19-4-2-1-3-18(19)16-9-17(13-27-12-16)29-21(31)14-6-8-28-20(10-14)30-22(32)15-5-7-23(25,26)11-15/h1-4,6,8-10,12-13,15H,5,7,11H2,(H,29,31)(H,28,30,32)
InChIKeyOXEXOPRYGJGEFF-UHFFFAOYSA-N
MW456.88 g/mol
LogP5.42
Rot. Bonds5

About N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide

N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide (PubChem CID 118071052) has the molecular formula C23H19ClF2N4O2 and a molecular weight of 456.88 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide
PubChem CID118071052
Molecular FormulaC23H19ClF2N4O2
Molecular Weight456.88 g/mol
Exact Mass456.12
IUPAC NameN-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide
SMILESO=C(Nc1cncc(-c2ccccc2Cl)c1)c1ccnc(NC(=O)C2CCC(F)(F)C2)c1
InChIInChI=1S/C23H19ClF2N4O2/c24-19-4-2-1-3-18(19)16-9-17(13-27-12-16)29-21(31)14-6-8-28-20(10-14)30-22(32)15-5-7-23(25,26)11-15/h1-4,6,8-10,12-13,15H,5,7,11H2,(H,29,31)(H,28,30,32)
InChIKeyOXEXOPRYGJGEFF-UHFFFAOYSA-N
XLogP5.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.88
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118063872
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064254
2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 118064448
2-[[(1S)-3,3-difluorocyclopentanecarbonyl]amino]-N-(2-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118065427
2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 118065419
2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide
CID 144842708
2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide
CID 118072376
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-3-carboxamide
CID 118063764
2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 118071000
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
4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141452915

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide (CID 118071052) is N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide is O=C(Nc1cncc(-c2ccccc2Cl)c1)c1ccnc(NC(=O)C2CCC(F)(F)C2)c1.
What is the InChIKey of N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide?
The InChIKey is OXEXOPRYGJGEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N4O2/c24-19-4-2-1-3-18(19)16-9-17(13-27-12-16)29-21(31)14-6-8-28-20(10-14)30-22(32)15-5-7-23(25,26)11-15/h1-4,6,8-10,12-13,15H,5,7,11H2,(H,29,31)(H,28,30,32).
What are the key properties of N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide?
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide has a molecular weight of 456.88 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 118071052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).