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

C17H17N5OS — CID 50959390

IUPAC2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCc2csc(-c3ncccn3)n2)ccn1
InChIInChI=1S/C17H17N5OS/c1-2-4-13-9-12(5-8-18-13)16(23)21-10-14-11-24-17(22-14)15-19-6-3-7-20-15/h3,5-9,11H,2,4,10H2,1H3,(H,21,23)
InChIKeyMCNQTXANVPPGOP-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.88
Rot. Bonds6

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

2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 50959390) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
PubChem CID50959390
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCc2csc(-c3ncccn3)n2)ccn1
InChIInChI=1S/C17H17N5OS/c1-2-4-13-9-12(5-8-18-13)16(23)21-10-14-11-24-17(22-14)15-19-6-3-7-20-15/h3,5-9,11H,2,4,10H2,1H3,(H,21,23)
InChIKeyMCNQTXANVPPGOP-UHFFFAOYSA-N
XLogP2.88
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyano-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 91831670
3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50983519
3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 91788805
3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108748855
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62174606
6-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 70785636
2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 50973850
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
2-(4-ethylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide;formic acid
CID 154915200
3-oxo-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91771220
N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
CID 56712999
N-(1H-indol-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
CID 56822183

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide (CID 50959390) is 2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide is CCCc1cc(C(=O)NCc2csc(-c3ncccn3)n2)ccn1.
What is the InChIKey of 2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is MCNQTXANVPPGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-2-4-13-9-12(5-8-18-13)16(23)21-10-14-11-24-17(22-14)15-19-6-3-7-20-15/h3,5-9,11H,2,4,10H2,1H3,(H,21,23).
What are the key properties of 2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide?
2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 50959390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).