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

C17H14N4O2 — CID 17414915

IUPACN-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C17H14N4O2/c1-21-11-10-19-16(21)15(22)12-2-4-14(5-3-12)20-17(23)13-6-8-18-9-7-13/h2-11H,1H3,(H,20,23)
InChIKeyBASDQMBRKWIKIX-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.30
Rot. Bonds4

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

N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide (PubChem CID 17414915) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
PubChem CID17414915
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C17H14N4O2/c1-21-11-10-19-16(21)15(22)12-2-4-14(5-3-12)20-17(23)13-6-8-18-9-7-13/h2-11H,1H3,(H,20,23)
InChIKeyBASDQMBRKWIKIX-UHFFFAOYSA-N
XLogP2.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 17427516
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133
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
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-nitrobenzamide
CID 31933737
7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17417131
2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192795
2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192820
2-chloro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71702900
3-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-nitrobenzamide
CID 17429559

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide (CID 17414915) is N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide is Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide?
The InChIKey is BASDQMBRKWIKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-21-11-10-19-16(21)15(22)12-2-4-14(5-3-12)20-17(23)13-6-8-18-9-7-13/h2-11H,1H3,(H,20,23).
What are the key properties of N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide?
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 17414915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).