N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C15H16N2O2 — CID 797062

IUPACN-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C15H16N2O2/c1-10-8-13(15(19)17-11(10)2)14(18)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHUGCBUVROHRBKU-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.92
Rot. Bonds3

About N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 797062) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID797062
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C15H16N2O2/c1-10-8-13(15(19)17-11(10)2)14(18)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHUGCBUVROHRBKU-UHFFFAOYSA-N
XLogP1.92
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 797062) is N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C(=O)NCc2ccccc2)c(=O)[nH]c1C.
What is the InChIKey of N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HUGCBUVROHRBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-8-13(15(19)17-11(10)2)14(18)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 797062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).