5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide

C12H19N3O — CID 82683717

IUPAC5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
SMILESCC(CN)CCC(=O)NCc1ccncc1
InChIInChI=1S/C12H19N3O/c1-10(8-13)2-3-12(16)15-9-11-4-6-14-7-5-11/h4-7,10H,2-3,8-9,13H2,1H3,(H,15,16)
InChIKeyBAKRFXIQDPWHIK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.07
Rot. Bonds6

About 5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide

5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide (PubChem CID 82683717) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
PubChem CID82683717
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
SMILESCC(CN)CCC(=O)NCc1ccncc1
InChIInChI=1S/C12H19N3O/c1-10(8-13)2-3-12(16)15-9-11-4-6-14-7-5-11/h4-7,10H,2-3,8-9,13H2,1H3,(H,15,16)
InChIKeyBAKRFXIQDPWHIK-UHFFFAOYSA-N
XLogP1.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-4-methyl-N-(pyridin-4-ylmethyl)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-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
CID 82012306
3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023814
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 82016946
(2S)-2-amino-6-oxo-6-(pyridin-4-ylmethylamino)hexanoic acid
CID 146352909
N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
CID 108940811
6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide
CID 106899790
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
CID 82012253
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280
4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
CID 154583502

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The IUPAC name of 5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide (CID 82683717) is 5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide is CC(CN)CCC(=O)NCc1ccncc1.
What is the InChIKey of 5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The InChIKey is BAKRFXIQDPWHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(8-13)2-3-12(16)15-9-11-4-6-14-7-5-11/h4-7,10H,2-3,8-9,13H2,1H3,(H,15,16).
What are the key properties of 5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide?
5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.07, 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-(pyridin-4-ylmethyl)pentanamide is sourced from PubChem (CID 82683717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).