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

C12H19N3O2 — CID 103384967

IUPACN-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H19N3O2/c1-3-15(4-2)8-7-14-12(17)10-9-13-6-5-11(10)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeySNJKBVKRUMVNKB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.45
Rot. Bonds6

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

N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103384967) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103384967
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H19N3O2/c1-3-15(4-2)8-7-14-12(17)10-9-13-6-5-11(10)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeySNJKBVKRUMVNKB-UHFFFAOYSA-N
XLogP0.45
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337019
N-octyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039175
N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106039021
N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337525
4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 114039090
N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide
CID 66945735
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
2-methyl-2-[[(4-oxo-1H-pyridine-3-carbonyl)amino]methyl]butanoic acid
CID 114038729
N-benzyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633090
N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106308005
N-(4-chloro-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 106143316

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide (CID 103384967) is N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide is CCN(CC)CCNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SNJKBVKRUMVNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15(4-2)8-7-14-12(17)10-9-13-6-5-11(10)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103384967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).