N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide

C15H9N5OS — CID 169101806

IUPACN-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide
SMILESN#Cc1csc(NC(=O)c2cccc(-c3ccccn3)n2)n1
InChIInChI=1S/C15H9N5OS/c16-8-10-9-22-15(18-10)20-14(21)13-6-3-5-12(19-13)11-4-1-2-7-17-11/h1-7,9H,(H,18,20,21)
InChIKeyFRJUGWHYPOVEBF-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.72
Rot. Bonds3

About N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide

N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 169101806) has the molecular formula C15H9N5OS and a molecular weight of 307.34 g/mol. Its IUPAC name is N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide
PubChem CID169101806
Molecular FormulaC15H9N5OS
Molecular Weight307.34 g/mol
Exact Mass307.05
IUPAC NameN-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide
SMILESN#Cc1csc(NC(=O)c2cccc(-c3ccccn3)n2)n1
InChIInChI=1S/C15H9N5OS/c16-8-10-9-22-15(18-10)20-14(21)13-6-3-5-12(19-13)11-4-1-2-7-17-11/h1-7,9H,(H,18,20,21)
InChIKeyFRJUGWHYPOVEBF-UHFFFAOYSA-N
XLogP2.72
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide (CID 169101806) is N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide is N#Cc1csc(NC(=O)c2cccc(-c3ccccn3)n2)n1.
What is the InChIKey of N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is FRJUGWHYPOVEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5OS/c16-8-10-9-22-15(18-10)20-14(21)13-6-3-5-12(19-13)11-4-1-2-7-17-11/h1-7,9H,(H,18,20,21).
What are the key properties of N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide?
N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1,3-thiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 169101806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).