N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide

C15H16N2O2 — CID 103337000

IUPACN-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C15H16N2O2/c1-2-17(11-12-6-4-3-5-7-12)15(19)13-10-16-9-8-14(13)18/h3-10H,2,11H2,1H3,(H,16,18)
InChIKeyBMCRVUOXVDRJJW-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.04
Rot. Bonds4

About N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide

N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337000) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337000
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C15H16N2O2/c1-2-17(11-12-6-4-3-5-7-12)15(19)13-10-16-9-8-14(13)18/h3-10H,2,11H2,1H3,(H,16,18)
InChIKeyBMCRVUOXVDRJJW-UHFFFAOYSA-N
XLogP2.04
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide (CID 103337000) is N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BMCRVUOXVDRJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-17(11-12-6-4-3-5-7-12)15(19)13-10-16-9-8-14(13)18/h3-10H,2,11H2,1H3,(H,16,18).
What are the key properties of N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide?
N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).