N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide

C13H19N3O2 — CID 107363047

IUPACN-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(CNC(=O)c1cccc(=O)[nH]1)N(C)C1CC1
InChIInChI=1S/C13H19N3O2/c1-9(16(2)10-6-7-10)8-14-13(18)11-4-3-5-12(17)15-11/h3-5,9-10H,6-8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyVYXUXIXQDJRNRN-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.59
Rot. Bonds5

About N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide

N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 107363047) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID107363047
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(CNC(=O)c1cccc(=O)[nH]1)N(C)C1CC1
InChIInChI=1S/C13H19N3O2/c1-9(16(2)10-6-7-10)8-14-13(18)11-4-3-5-12(17)15-11/h3-5,9-10H,6-8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyVYXUXIXQDJRNRN-UHFFFAOYSA-N
XLogP0.59
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide (CID 107363047) is N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide is CC(CNC(=O)c1cccc(=O)[nH]1)N(C)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is VYXUXIXQDJRNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(16(2)10-6-7-10)8-14-13(18)11-4-3-5-12(17)15-11/h3-5,9-10H,6-8H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]propyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107363047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).