N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide

C12H15N3O2 — CID 62879998

IUPACN-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide
SMILESCN(CCC#N)C(=O)CCn1ccc(=O)cc1
InChIInChI=1S/C12H15N3O2/c1-14(7-2-6-13)12(17)5-10-15-8-3-11(16)4-9-15/h3-4,8-9H,2,5,7,10H2,1H3
InChIKeyYLHMZUOUITYDNH-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.61
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide

N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide (PubChem CID 62879998) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide
PubChem CID62879998
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide
SMILESCN(CCC#N)C(=O)CCn1ccc(=O)cc1
InChIInChI=1S/C12H15N3O2/c1-14(7-2-6-13)12(17)5-10-15-8-3-11(16)4-9-15/h3-4,8-9H,2,5,7,10H2,1H3
InChIKeyYLHMZUOUITYDNH-UHFFFAOYSA-N
XLogP0.61
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide (CID 62879998) is N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide is CN(CCC#N)C(=O)CCn1ccc(=O)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide?
The InChIKey is YLHMZUOUITYDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14(7-2-6-13)12(17)5-10-15-8-3-11(16)4-9-15/h3-4,8-9H,2,5,7,10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide?
N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide has a molecular weight of 233.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-(4-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 62879998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).