N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C17H16N4O3S — CID 167899738

IUPACN-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1cc[nH]c(=O)c1CNC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H16N4O3S/c1-24-14-5-7-19-16(23)12(14)9-20-15(22)8-11-10-25-17(21-11)13-4-2-3-6-18-13/h2-7,10H,8-9H2,1H3,(H,19,23)(H,20,22)
InChIKeyRJBFKYPTEBZXPL-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.76
Rot. Bonds6

About N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 167899738) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID167899738
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1cc[nH]c(=O)c1CNC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H16N4O3S/c1-24-14-5-7-19-16(23)12(14)9-20-15(22)8-11-10-25-17(21-11)13-4-2-3-6-18-13/h2-7,10H,8-9H2,1H3,(H,19,23)(H,20,22)
InChIKeyRJBFKYPTEBZXPL-UHFFFAOYSA-N
XLogP1.76
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 167899738) is N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is COc1cc[nH]c(=O)c1CNC(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is RJBFKYPTEBZXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-24-14-5-7-19-16(23)12(14)9-20-15(22)8-11-10-25-17(21-11)13-4-2-3-6-18-13/h2-7,10H,8-9H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 356.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 167899738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).