N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide

C10H13N3O3 — CID 47189186

IUPACN-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)CCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H13N3O3/c11-8(14)2-1-5-12-10(16)7-3-4-9(15)13-6-7/h3-4,6H,1-2,5H2,(H2,11,14)(H,12,16)(H,13,15)
InChIKeyRQHVHUHSANACGL-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.63
Rot. Bonds5

About N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide

N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 47189186) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID47189186
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)CCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H13N3O3/c11-8(14)2-1-5-12-10(16)7-3-4-9(15)13-6-7/h3-4,6H,1-2,5H2,(H2,11,14)(H,12,16)(H,13,15)
InChIKeyRQHVHUHSANACGL-UHFFFAOYSA-N
XLogP-0.63
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide
CID 118335380
N-(4-amino-4-oxobutyl)-4-carbamothioylbenzamide
CID 60863237
N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide
CID 106130808
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115609109
N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
CID 62237082
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110626385
N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 115604124
N-(3-amino-3-oxopropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765710

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide (CID 47189186) is N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide is NC(=O)CCCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RQHVHUHSANACGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-8(14)2-1-5-12-10(16)7-3-4-9(15)13-6-7/h3-4,6H,1-2,5H2,(H2,11,14)(H,12,16)(H,13,15).
What are the key properties of N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 223.23 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47189186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).