N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide

C23H19ClN4O2 — CID 58006454

IUPACN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)c(C)n1
InChIInChI=1S/C23H19ClN4O2/c1-14-17(9-11-21(26-14)30-2)23(29)27-16-8-10-19(24)18(12-16)22-25-13-20(28-22)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,25,28)(H,27,29)
InChIKeyWSSKEZYSXFMECN-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.36
Rot. Bonds5

About N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide

N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide (PubChem CID 58006454) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide
PubChem CID58006454
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)c(C)n1
InChIInChI=1S/C23H19ClN4O2/c1-14-17(9-11-21(26-14)30-2)23(29)27-16-8-10-19(24)18(12-16)22-25-13-20(28-22)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,25,28)(H,27,29)
InChIKeyWSSKEZYSXFMECN-UHFFFAOYSA-N
XLogP5.36
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
CID 58006486
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide
CID 58006484
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-methyl-3-propan-2-yloxybenzamide
CID 58006451
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide
CID 58006485
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide
CID 58006536
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide
CID 24789075
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide
CID 58006497
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide
CID 58006446
2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
CID 174577479
N-[4-chloro-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbenzamide
CID 90031318
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 71131190

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide (CID 58006454) is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)c(C)n1.
What is the InChIKey of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide?
The InChIKey is WSSKEZYSXFMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-14-17(9-11-21(26-14)30-2)23(29)27-16-8-10-19(24)18(12-16)22-25-13-20(28-22)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,25,28)(H,27,29).
What are the key properties of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide?
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 58006454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).