N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C11H11N3O2S — CID 61280072

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ncc(CNC(=O)c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C11H11N3O2S/c1-7-12-5-9(17-7)6-14-11(16)8-2-3-10(15)13-4-8/h2-5H,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyOPHOQOKXADMTLM-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.07
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 61280072) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID61280072
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ncc(CNC(=O)c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C11H11N3O2S/c1-7-12-5-9(17-7)6-14-11(16)8-2-3-10(15)13-4-8/h2-5H,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyOPHOQOKXADMTLM-UHFFFAOYSA-N
XLogP1.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 61280072) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1ncc(CNC(=O)c2ccc(=O)[nH]c2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OPHOQOKXADMTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-12-5-9(17-7)6-14-11(16)8-2-3-10(15)13-4-8/h2-5H,6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61280072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).