N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide

C13H13N3O2 — CID 110730530

IUPACN-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCn1cc(CNC(=O)c2ccncc2)ccc1=O
InChIInChI=1S/C13H13N3O2/c1-16-9-10(2-3-12(16)17)8-15-13(18)11-4-6-14-7-5-11/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyRZOBLEXDDGRXCH-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.71
Rot. Bonds3

About N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide

N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 110730530) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID110730530
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCn1cc(CNC(=O)c2ccncc2)ccc1=O
InChIInChI=1S/C13H13N3O2/c1-16-9-10(2-3-12(16)17)8-15-13(18)11-4-6-14-7-5-11/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyRZOBLEXDDGRXCH-UHFFFAOYSA-N
XLogP0.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
CID 107233792
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110692988
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide
CID 110730554
N-[(4-propan-2-ylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784665
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785256
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
CID 84513157
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide (CID 110730530) is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide is Cn1cc(CNC(=O)c2ccncc2)ccc1=O.
What is the InChIKey of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is RZOBLEXDDGRXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-9-10(2-3-12(16)17)8-15-13(18)11-4-6-14-7-5-11/h2-7,9H,8H2,1H3,(H,15,18).
What are the key properties of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide?
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 110730530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).