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

C18H12ClF2N3O — CID 87293309

IUPACN-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2cc(F)cc(F)c2)cc(C(=O)Nc2ccnc(Cl)c2)n1
InChIInChI=1S/C18H12ClF2N3O/c1-10-4-11(12-5-13(20)8-14(21)6-12)7-16(23-10)18(25)24-15-2-3-22-17(19)9-15/h2-9H,1H3,(H,22,24,25)
InChIKeyHPNJQIGBOVVBGP-UHFFFAOYSA-N
MW359.76 g/mol
LogP4.64
Rot. Bonds3

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

N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide (PubChem CID 87293309) has the molecular formula C18H12ClF2N3O and a molecular weight of 359.76 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide
PubChem CID87293309
Molecular FormulaC18H12ClF2N3O
Molecular Weight359.76 g/mol
Exact Mass359.06
IUPAC NameN-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2cc(F)cc(F)c2)cc(C(=O)Nc2ccnc(Cl)c2)n1
InChIInChI=1S/C18H12ClF2N3O/c1-10-4-11(12-5-13(20)8-14(21)6-12)7-16(23-10)18(25)24-15-2-3-22-17(19)9-15/h2-9H,1H3,(H,22,24,25)
InChIKeyHPNJQIGBOVVBGP-UHFFFAOYSA-N
XLogP4.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.76
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 87293261
4-(5-fluoro-3-pyridinyl)-6-methyl-N-phenylpyridine-2-carboxamide
CID 67162954
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651
N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide
CID 67162779
N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
CID 140508287
N-(2-chloro-4-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 114053486
2-[(2-chloro-4-pyridinyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429218
N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349
5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide
CID 102705824
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
3-bromo-N-(2-chloro-4-pyridinyl)-4-fluorobenzamide
CID 107952988
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219588

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide (CID 87293309) is N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide is Cc1cc(-c2cc(F)cc(F)c2)cc(C(=O)Nc2ccnc(Cl)c2)n1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide?
The InChIKey is HPNJQIGBOVVBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O/c1-10-4-11(12-5-13(20)8-14(21)6-12)7-16(23-10)18(25)24-15-2-3-22-17(19)9-15/h2-9H,1H3,(H,22,24,25).
What are the key properties of N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide?
N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide has a molecular weight of 359.76 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 87293309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).