2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide

C14H21N3O — CID 54869781

IUPAC2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(C)C(N)C(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C14H21N3O/c1-10(2)13(15)14(18)17(12-6-7-12)9-11-5-3-4-8-16-11/h3-5,8,10,12-13H,6-7,9,15H2,1-2H3
InChIKeyPFCNJNSQKYECAX-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.56
Rot. Bonds5

About 2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide

2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 54869781) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
PubChem CID54869781
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(C)C(N)C(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C14H21N3O/c1-10(2)13(15)14(18)17(12-6-7-12)9-11-5-3-4-8-16-11/h3-5,8,10,12-13H,6-7,9,15H2,1-2H3
InChIKeyPFCNJNSQKYECAX-UHFFFAOYSA-N
XLogP1.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-cyclopropyl-3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide
CID 76895282
(2S)-2-amino-N-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 61165416
3-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62670174
2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 107904243
4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 80543102
2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide
CID 77144597
2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide
CID 62474295
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 77144458
N-cyclopropyl-2-(4-phenylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 55607567
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66568347

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide (CID 54869781) is 2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide is CC(C)C(N)C(=O)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is PFCNJNSQKYECAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)13(15)14(18)17(12-6-7-12)9-11-5-3-4-8-16-11/h3-5,8,10,12-13H,6-7,9,15H2,1-2H3.
What are the key properties of 2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide?
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 247.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 54869781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).