6-oxo-N-propyl-1H-pyridine-3-carboxamide

C9H12N2O2 — CID 28826330

IUPAC6-oxo-N-propyl-1H-pyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O2/c1-2-5-10-9(13)7-3-4-8(12)11-6-7/h3-4,6H,2,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyMOJUJMVYFVATDA-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.51
Rot. Bonds3

About 6-oxo-N-propyl-1H-pyridine-3-carboxamide

6-oxo-N-propyl-1H-pyridine-3-carboxamide (PubChem CID 28826330) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-oxo-N-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propyl-1H-pyridine-3-carboxamide
PubChem CID28826330
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-oxo-N-propyl-1H-pyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O2/c1-2-5-10-9(13)7-3-4-8(12)11-6-7/h3-4,6H,2,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyMOJUJMVYFVATDA-UHFFFAOYSA-N
XLogP0.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-propyl-1H-pyridine-3-carboxamide (CID 28826330) is 6-oxo-N-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-propyl-1H-pyridine-3-carboxamide is CCCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-propyl-1H-pyridine-3-carboxamide?
The InChIKey is MOJUJMVYFVATDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-5-10-9(13)7-3-4-8(12)11-6-7/h3-4,6H,2,5H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 6-oxo-N-propyl-1H-pyridine-3-carboxamide?
6-oxo-N-propyl-1H-pyridine-3-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 28826330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).