6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide

C14H11N5O — CID 166481334

IUPAC6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cccc(-n2ccnc2)n1
InChIInChI=1S/C14H11N5O/c20-14(17-11-3-2-6-15-9-11)12-4-1-5-13(18-12)19-8-7-16-10-19/h1-10H,(H,17,20)
InChIKeyPHLXTSCFWQCBMG-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.91
Rot. Bonds3

About 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide

6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 166481334) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
PubChem CID166481334
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cccc(-n2ccnc2)n1
InChIInChI=1S/C14H11N5O/c20-14(17-11-3-2-6-15-9-11)12-4-1-5-13(18-12)19-8-7-16-10-19/h1-10H,(H,17,20)
InChIKeyPHLXTSCFWQCBMG-UHFFFAOYSA-N
XLogP1.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide (CID 166481334) is 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide is O=C(Nc1cccnc1)c1cccc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is PHLXTSCFWQCBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c20-14(17-11-3-2-6-15-9-11)12-4-1-5-13(18-12)19-8-7-16-10-19/h1-10H,(H,17,20).
What are the key properties of 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide?
6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 166481334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).