6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide

C16H14N4O2S — CID 110624969

IUPAC6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H14N4O2S/c21-14-4-3-11(9-19-14)15(22)18-7-5-13-10-23-16(20-13)12-2-1-6-17-8-12/h1-4,6,8-10H,5,7H2,(H,18,22)(H,19,21)
InChIKeyDSYVZBNNIMHUTB-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.87
Rot. Bonds5

About 6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide

6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 110624969) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID110624969
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H14N4O2S/c21-14-4-3-11(9-19-14)15(22)18-7-5-13-10-23-16(20-13)12-2-1-6-17-8-12/h1-4,6,8-10H,5,7H2,(H,18,22)(H,19,21)
InChIKeyDSYVZBNNIMHUTB-UHFFFAOYSA-N
XLogP1.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 110625021
6-amino-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 91765071
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70720614
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide
CID 110305177
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 5310118
3-methyl-4-nitro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7163672
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
4-(4-methoxyphenyl)-4-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110624951
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329883
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624792
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 118779413

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide (CID 110624969) is 6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide is O=C(NCCc1csc(-c2cccnc2)n1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is DSYVZBNNIMHUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-14-4-3-11(9-19-14)15(22)18-7-5-13-10-23-16(20-13)12-2-1-6-17-8-12/h1-4,6,8-10H,5,7H2,(H,18,22)(H,19,21).
What are the key properties of 6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110624969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).