1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide

C15H13N5O — CID 1491423

IUPAC1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCc1cccc(-n2cnc(C(=O)Nc3cccnc3)c2)n1
InChIInChI=1S/C15H13N5O/c1-11-4-2-6-14(18-11)20-9-13(17-10-20)15(21)19-12-5-3-7-16-8-12/h2-10H,1H3,(H,19,21)
InChIKeyDNDXLTGZQWNZNF-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.22
Rot. Bonds3

About 1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide

1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide (PubChem CID 1491423) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide
PubChem CID1491423
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCc1cccc(-n2cnc(C(=O)Nc3cccnc3)c2)n1
InChIInChI=1S/C15H13N5O/c1-11-4-2-6-14(18-11)20-9-13(17-10-20)15(21)19-12-5-3-7-16-8-12/h2-10H,1H3,(H,19,21)
InChIKeyDNDXLTGZQWNZNF-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide (CID 1491423) is 1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide is Cc1cccc(-n2cnc(C(=O)Nc3cccnc3)c2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide?
The InChIKey is DNDXLTGZQWNZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-11-4-2-6-14(18-11)20-9-13(17-10-20)15(21)19-12-5-3-7-16-8-12/h2-10H,1H3,(H,19,21).
What are the key properties of 1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide?
1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 1491423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).