1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide

C13H18N2O2 — CID 103713550

IUPAC1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide
SMILESCCCC1CC1NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H18N2O2/c1-3-4-9-7-11(9)14-13(17)10-5-6-15(2)12(16)8-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyHKEDPVXUCKGSRC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.30
Rot. Bonds4

About 1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide

1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide (PubChem CID 103713550) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide
PubChem CID103713550
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide
SMILESCCCC1CC1NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H18N2O2/c1-3-4-9-7-11(9)14-13(17)10-5-6-15(2)12(16)8-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyHKEDPVXUCKGSRC-UHFFFAOYSA-N
XLogP1.30
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide (CID 103713550) is 1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide is CCCC1CC1NC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide?
The InChIKey is HKEDPVXUCKGSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-4-9-7-11(9)14-13(17)10-5-6-15(2)12(16)8-10/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide?
1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 103713550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).