N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide

C13H13N3O3 — CID 138041888

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc[nH]c(=O)c2)n1
InChIInChI=1S/C13H13N3O3/c1-19-12-4-2-3-10(16-12)8-15-13(18)9-5-6-14-11(17)7-9/h2-7H,8H2,1H3,(H,14,17)(H,15,18)
InChIKeyURBPPTYOPPTJEI-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.71
Rot. Bonds4

About N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide

N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 138041888) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID138041888
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc[nH]c(=O)c2)n1
InChIInChI=1S/C13H13N3O3/c1-19-12-4-2-3-10(16-12)8-15-13(18)9-5-6-14-11(17)7-9/h2-7H,8H2,1H3,(H,14,17)(H,15,18)
InChIKeyURBPPTYOPPTJEI-UHFFFAOYSA-N
XLogP0.71
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide
CID 154795745
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
N-[[2-(methoxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762844
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762837
N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762909
N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257144
2-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridine-4-carboxamide
CID 103764061
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760
N-(6-methoxy-3-pyridinyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257121
3-methoxy-N-(quinolin-2-ylmethyl)benzamide
CID 110734068
1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine
CID 110916980

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 138041888) is N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide is COc1cccc(CNC(=O)c2cc[nH]c(=O)c2)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is URBPPTYOPPTJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-12-4-2-3-10(16-12)8-15-13(18)9-5-6-14-11(17)7-9/h2-7H,8H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 138041888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).