6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

C15H10N6OS — CID 91831670

IUPAC6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)NCc2csc(-c3ncccn3)n2)cn1
InChIInChI=1S/C15H10N6OS/c16-6-11-3-2-10(7-19-11)14(22)20-8-12-9-23-15(21-12)13-17-4-1-5-18-13/h1-5,7,9H,8H2,(H,20,22)
InChIKeyHTYQJMWVEIXZGY-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.80
Rot. Bonds4

About 6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 91831670) has the molecular formula C15H10N6OS and a molecular weight of 322.35 g/mol. Its IUPAC name is 6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID91831670
Molecular FormulaC15H10N6OS
Molecular Weight322.35 g/mol
Exact Mass322.06
IUPAC Name6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)NCc2csc(-c3ncccn3)n2)cn1
InChIInChI=1S/C15H10N6OS/c16-6-11-3-2-10(7-19-11)14(22)20-8-12-9-23-15(21-12)13-17-4-1-5-18-13/h1-5,7,9H,8H2,(H,20,22)
InChIKeyHTYQJMWVEIXZGY-UHFFFAOYSA-N
XLogP1.80
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 50959390
6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide
CID 67567287
6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide
CID 90651357
6-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 70785636
3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50983519
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 34072489
6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 90650149
3-oxo-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91771220
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86832956
6-cyano-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 91844279
6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 124752431

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (CID 91831670) is 6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is N#Cc1ccc(C(=O)NCc2csc(-c3ncccn3)n2)cn1.
What is the InChIKey of 6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is HTYQJMWVEIXZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6OS/c16-6-11-3-2-10(7-19-11)14(22)20-8-12-9-23-15(21-12)13-17-4-1-5-18-13/h1-5,7,9H,8H2,(H,20,22).
What are the key properties of 6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 322.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91831670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).