N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide

C9H10N2O2 — CID 103336778

IUPACN-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1c[nH]ccc1=O
InChIInChI=1S/C9H10N2O2/c12-8-3-4-10-5-7(8)9(13)11-6-1-2-6/h3-6H,1-2H2,(H,10,12)(H,11,13)
InChIKeyYYAXCIGVAGNZDF-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.27
Rot. Bonds2

About N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide

N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103336778) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103336778
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1c[nH]ccc1=O
InChIInChI=1S/C9H10N2O2/c12-8-3-4-10-5-7(8)9(13)11-6-1-2-6/h3-6H,1-2H2,(H,10,12)(H,11,13)
InChIKeyYYAXCIGVAGNZDF-UHFFFAOYSA-N
XLogP0.27
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide (CID 103336778) is N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide is O=C(NC1CC1)c1c[nH]ccc1=O.
What is the InChIKey of N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YYAXCIGVAGNZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-8-3-4-10-5-7(8)9(13)11-6-1-2-6/h3-6H,1-2H2,(H,10,12)(H,11,13).
What are the key properties of N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide?
N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103336778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).