N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide

C13H13N3O3 — CID 107261569

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(=O)[nH]2)cn1
InChIInChI=1S/C13H13N3O3/c1-19-12-6-5-9(7-14-12)8-15-13(18)10-3-2-4-11(17)16-10/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyPORHINACIQDKID-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.71
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 107261569) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID107261569
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(=O)[nH]2)cn1
InChIInChI=1S/C13H13N3O3/c1-19-12-6-5-9(7-14-12)8-15-13(18)10-3-2-4-11(17)16-10/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyPORHINACIQDKID-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

N-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261359
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147431
2-amino-6-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 81394680
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 113323529
N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613259
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 107261569) is N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cccc(=O)[nH]2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is PORHINACIQDKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-12-6-5-9(7-14-12)8-15-13(18)10-3-2-4-11(17)16-10/h2-7H,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-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-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107261569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).