6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide

C18H16N4O2 — CID 18149133

IUPAC6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cn1
InChIInChI=1S/C18H16N4O2/c1-12-3-4-14(11-20-12)18(24)21-15-7-5-13(6-8-15)16(23)17-19-9-10-22(17)2/h3-11H,1-2H3,(H,21,24)
InChIKeyWTMFPMNGQYLHIY-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.61
Rot. Bonds4

About 6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide

6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 18149133) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID18149133
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cn1
InChIInChI=1S/C18H16N4O2/c1-12-3-4-14(11-20-12)18(24)21-15-7-5-13(6-8-15)16(23)17-19-9-10-22(17)2/h3-11H,1-2H3,(H,21,24)
InChIKeyWTMFPMNGQYLHIY-UHFFFAOYSA-N
XLogP2.61
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone
CID 112731494
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 17427516
4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18206147
4-(1,3-dithian-2-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 22830690
7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17417131
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-nitrobenzamide
CID 31933737
3-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-nitrobenzamide
CID 17429559
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide (CID 18149133) is 6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cn1.
What is the InChIKey of 6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is WTMFPMNGQYLHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-3-4-14(11-20-12)18(24)21-15-7-5-13(6-8-15)16(23)17-19-9-10-22(17)2/h3-11H,1-2H3,(H,21,24).
What are the key properties of 6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide?
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 18149133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).