N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide

C9H12N2O3 — CID 43417829

IUPACN-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCCO)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O3/c12-5-1-4-10-9(14)7-2-3-8(13)11-6-7/h2-3,6,12H,1,4-5H2,(H,10,14)(H,11,13)
InChIKeyLBVCIFKASRBUOY-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.51
Rot. Bonds4

About N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide

N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 43417829) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID43417829
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCCO)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O3/c12-5-1-4-10-9(14)7-2-3-8(13)11-6-7/h2-3,6,12H,1,4-5H2,(H,10,14)(H,11,13)
InChIKeyLBVCIFKASRBUOY-UHFFFAOYSA-N
XLogP-0.51
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.51
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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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide (CID 43417829) is N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCCO)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LBVCIFKASRBUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-5-1-4-10-9(14)7-2-3-8(13)11-6-7/h2-3,6,12H,1,4-5H2,(H,10,14)(H,11,13).
What are the key properties of N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43417829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).