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

C13H13N3O2 — CID 47227479

IUPACN-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(=O)[nH]c2)cn1
InChIInChI=1S/C13H13N3O2/c1-9-2-3-10(6-14-9)7-16-13(18)11-4-5-12(17)15-8-11/h2-6,8H,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyDHCHJCHPYMBOAX-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.01
Rot. Bonds3

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

N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 47227479) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID47227479
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(=O)[nH]c2)cn1
InChIInChI=1S/C13H13N3O2/c1-9-2-3-10(6-14-9)7-16-13(18)11-4-5-12(17)15-8-11/h2-6,8H,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyDHCHJCHPYMBOAX-UHFFFAOYSA-N
XLogP1.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115577610
N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4801056
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
CID 106385210
N-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712353
4-hydrazinyl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 63212635
N-[(3-ethoxy-4-methoxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921254
5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 60794533
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921250
6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 138036943
5-(methylamino)-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107375550
N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 114040983

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 47227479) is N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(=O)[nH]c2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DHCHJCHPYMBOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-2-3-10(6-14-9)7-16-13(18)11-4-5-12(17)15-8-11/h2-6,8H,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47227479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).