2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide

C11H17N3O — CID 60964247

IUPAC2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(N)C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C11H17N3O/c1-8(12)11(15)14(3)9(2)10-4-6-13-7-5-10/h4-9H,12H2,1-3H3
InChIKeyXRQDIYPNOYROII-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.95
Rot. Bonds3

About 2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide

2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide (PubChem CID 60964247) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
PubChem CID60964247
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(N)C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C11H17N3O/c1-8(12)11(15)14(3)9(2)10-4-6-13-7-5-10/h4-9H,12H2,1-3H3
InChIKeyXRQDIYPNOYROII-UHFFFAOYSA-N
XLogP0.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide?
The IUPAC name of 2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide (CID 60964247) is 2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide is CC(N)C(=O)N(C)C(C)c1ccncc1.
What is the InChIKey of 2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide?
The InChIKey is XRQDIYPNOYROII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(12)11(15)14(3)9(2)10-4-6-13-7-5-10/h4-9H,12H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide?
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide has a molecular weight of 207.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 60964247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).