1-(3-oxopropyl)-2H-pyridine-3-carboxamide

C9H12N2O2 — CID 21275439

IUPAC1-(3-oxopropyl)-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(CCC=O)C1
InChIInChI=1S/C9H12N2O2/c10-9(13)8-3-1-4-11(7-8)5-2-6-12/h1,3-4,6H,2,5,7H2,(H2,10,13)
InChIKeyKIYVWXSFXAJBEO-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.18
Rot. Bonds4

About 1-(3-oxopropyl)-2H-pyridine-3-carboxamide

1-(3-oxopropyl)-2H-pyridine-3-carboxamide (PubChem CID 21275439) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(3-oxopropyl)-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-oxopropyl)-2H-pyridine-3-carboxamide
PubChem CID21275439
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(3-oxopropyl)-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(CCC=O)C1
InChIInChI=1S/C9H12N2O2/c10-9(13)8-3-1-4-11(7-8)5-2-6-12/h1,3-4,6H,2,5,7H2,(H2,10,13)
InChIKeyKIYVWXSFXAJBEO-UHFFFAOYSA-N
XLogP-0.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxopropyl)-2H-pyridine-3-carboxamide?
The IUPAC name of 1-(3-oxopropyl)-2H-pyridine-3-carboxamide (CID 21275439) is 1-(3-oxopropyl)-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-oxopropyl)-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-(3-oxopropyl)-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN(CCC=O)C1.
What is the InChIKey of 1-(3-oxopropyl)-2H-pyridine-3-carboxamide?
The InChIKey is KIYVWXSFXAJBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-9(13)8-3-1-4-11(7-8)5-2-6-12/h1,3-4,6H,2,5,7H2,(H2,10,13).
What are the key properties of 1-(3-oxopropyl)-2H-pyridine-3-carboxamide?
1-(3-oxopropyl)-2H-pyridine-3-carboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxopropyl)-2H-pyridine-3-carboxamide is sourced from PubChem (CID 21275439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).