N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C15H16N2O3 — CID 2093489

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C15H16N2O3/c1-20-13-5-2-11(3-6-13)8-9-16-15(19)12-4-7-14(18)17-10-12/h2-7,10H,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyDCBGSKLVGFPWON-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 2093489) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID2093489
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C15H16N2O3/c1-20-13-5-2-11(3-6-13)8-9-16-15(19)12-4-7-14(18)17-10-12/h2-7,10H,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyDCBGSKLVGFPWON-UHFFFAOYSA-N
XLogP1.36
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 2093489) is N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DCBGSKLVGFPWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-13-5-2-11(3-6-13)8-9-16-15(19)12-4-7-14(18)17-10-12/h2-7,10H,8-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2093489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).