5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide

C13H21N3O — CID 82016946

IUPAC5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
SMILESCC(CN)CCC(=O)NC(C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-10(9-14)3-4-13(17)16-11(2)12-5-7-15-8-6-12/h5-8,10-11H,3-4,9,14H2,1-2H3,(H,16,17)
InChIKeyQZGVSZXJDNFSLW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.63
Rot. Bonds6

About 5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide

5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide (PubChem CID 82016946) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
PubChem CID82016946
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
SMILESCC(CN)CCC(=O)NC(C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-10(9-14)3-4-13(17)16-11(2)12-5-7-15-8-6-12/h5-8,10-11H,3-4,9,14H2,1-2H3,(H,16,17)
InChIKeyQZGVSZXJDNFSLW-UHFFFAOYSA-N
XLogP1.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide 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

5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 82010904
5-amino-N-[1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 82011641
5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 82013742
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
2-amino-N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]acetamide
CID 60848302
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81409558
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 82683717
2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
CID 63590307
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
CID 82014074

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide?
The IUPAC name of 5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide (CID 82016946) is 5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide is CC(CN)CCC(=O)NC(C)c1ccncc1.
What is the InChIKey of 5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide?
The InChIKey is QZGVSZXJDNFSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(9-14)3-4-13(17)16-11(2)12-5-7-15-8-6-12/h5-8,10-11H,3-4,9,14H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide?
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide is sourced from PubChem (CID 82016946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).