1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide

C9H13N2O3+ — CID 171990203

IUPAC1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide
SMILESCCCNC(=O)C1=[N+](O)C(=O)CC=C1
InChIInChI=1S/C9H12N2O3/c1-2-6-10-9(13)7-4-3-5-8(12)11(7)14/h3-4H,2,5-6H2,1H3,(H-,10,13,14)/p+1
InChIKeyQCXUYUUUQJYZKC-UHFFFAOYSA-O
MW197.21 g/mol
LogP-0.16
Rot. Bonds3

About 1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide

1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide (PubChem CID 171990203) has the molecular formula C9H13N2O3+ and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide.

Molecular Properties

Compound Name1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide
PubChem CID171990203
Molecular FormulaC9H13N2O3+
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide
SMILESCCCNC(=O)C1=[N+](O)C(=O)CC=C1
InChIInChI=1S/C9H12N2O3/c1-2-6-10-9(13)7-4-3-5-8(12)11(7)14/h3-4H,2,5-6H2,1H3,(H-,10,13,14)/p+1
InChIKeyQCXUYUUUQJYZKC-UHFFFAOYSA-O
XLogP-0.16
TPSA69.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide
CID 173263316
N-propyl-6-[6-(propylcarbamoyl)-2-pyridinyl]pyridine-2-carboxamide
CID 10980324
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-propyl-2H-triazole-4-carboxamide
CID 54219715
3,5-diamino-N-propylbenzamide
CID 20701636
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
6-methyl-N-propylpyridazine-3-carboxamide
CID 110705181
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3,5-dichloro-N-propylbenzamide
CID 2767298

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide?
The IUPAC name of 1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide (CID 171990203) is 1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide.
What is the SMILES notation for 1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide?
The canonical SMILES for 1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide is CCCNC(=O)C1=[N+](O)C(=O)CC=C1.
What is the InChIKey of 1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide?
The InChIKey is QCXUYUUUQJYZKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12N2O3/c1-2-6-10-9(13)7-4-3-5-8(12)11(7)14/h3-4H,2,5-6H2,1H3,(H-,10,13,14)/p+1.
What are the key properties of 1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide?
1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide has a molecular weight of 197.21 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide is sourced from PubChem (CID 171990203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).