2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide

C11H17N3O3 — CID 167765677

IUPAC2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCCOCCCNC(=O)c1c(N)[nH]ccc1=O
InChIInChI=1S/C11H17N3O3/c1-2-17-7-3-5-14-11(16)9-8(15)4-6-13-10(9)12/h4,6H,2-3,5,7H2,1H3,(H,14,16)(H3,12,13,15)
InChIKeyFWRUJZQECFQYGE-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.11
Rot. Bonds6

About 2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide

2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 167765677) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID167765677
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCCOCCCNC(=O)c1c(N)[nH]ccc1=O
InChIInChI=1S/C11H17N3O3/c1-2-17-7-3-5-14-11(16)9-8(15)4-6-13-10(9)12/h4,6H,2-3,5,7H2,1H3,(H,14,16)(H3,12,13,15)
InChIKeyFWRUJZQECFQYGE-UHFFFAOYSA-N
XLogP0.11
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 43642461
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 18108948
N-(3-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567
3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
CID 112574223
4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034163
3-amino-N-(3-ethoxypropyl)-5-methylbenzamide
CID 113396113
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
1-(4-aminophenyl)-3-(3-ethoxypropyl)urea
CID 43469047
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide (CID 167765677) is 2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide is CCOCCCNC(=O)c1c(N)[nH]ccc1=O.
What is the InChIKey of 2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FWRUJZQECFQYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-17-7-3-5-14-11(16)9-8(15)4-6-13-10(9)12/h4,6H,2-3,5,7H2,1H3,(H,14,16)(H3,12,13,15).
What are the key properties of 2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide?
2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 167765677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).