N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide

C17H12ClFN4O — CID 87293261

IUPACN-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2cncc(F)c2)cc(C(=O)Nc2ccnc(Cl)c2)n1
InChIInChI=1S/C17H12ClFN4O/c1-10-4-11(12-5-13(19)9-20-8-12)6-15(22-10)17(24)23-14-2-3-21-16(18)7-14/h2-9H,1H3,(H,21,23,24)
InChIKeyYAIVNHKDALBKBK-UHFFFAOYSA-N
MW342.76 g/mol
LogP3.89
Rot. Bonds3

About N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide

N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide (PubChem CID 87293261) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide
PubChem CID87293261
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC NameN-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2cncc(F)c2)cc(C(=O)Nc2ccnc(Cl)c2)n1
InChIInChI=1S/C17H12ClFN4O/c1-10-4-11(12-5-13(19)9-20-8-12)6-15(22-10)17(24)23-14-2-3-21-16(18)7-14/h2-9H,1H3,(H,21,23,24)
InChIKeyYAIVNHKDALBKBK-UHFFFAOYSA-N
XLogP3.89
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
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(S)-3-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-6-(2-fluorophenyl)picolinamide
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3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-chlorophenyl)pyridine-2-carboxamide
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N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68187480
N-[3-[(1s,3s,6s)-5-Azanyl-3-Methyl-4-Azabicyclo[4.1.0]hept-4-En-3-Yl]-4-Fluoranyl-Phenyl]-5-Chloranyl-Pyridine-2-Carboxamide
CID 71571523
Synthesis of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide (CID 87293261) is N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide is Cc1cc(-c2cncc(F)c2)cc(C(=O)Nc2ccnc(Cl)c2)n1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide?
The InChIKey is YAIVNHKDALBKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c1-10-4-11(12-5-13(19)9-20-8-12)6-15(22-10)17(24)23-14-2-3-21-16(18)7-14/h2-9H,1H3,(H,21,23,24).
What are the key properties of N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide?
N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide has a molecular weight of 342.76 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 87293261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).