(2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide

C12H19N3O — CID 106935125

IUPAC(2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-4-9(2)11(13)12(16)15(3)10-5-7-14-8-6-10/h5-9,11H,4,13H2,1-3H3/t9?,11-/m0/s1
InChIKeySFKZDCTZGQTIDH-UMJHXOGRSA-N
MW221.30 g/mol
LogP1.42
Rot. Bonds4

About (2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide

(2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide (PubChem CID 106935125) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide
PubChem CID106935125
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-4-9(2)11(13)12(16)15(3)10-5-7-14-8-6-10/h5-9,11H,4,13H2,1-3H3/t9?,11-/m0/s1
InChIKeySFKZDCTZGQTIDH-UMJHXOGRSA-N
XLogP1.42
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide 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,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148
(2S,3S)-2-amino-N,3-dimethyl-N-(4-nitrophenyl)pentanamide
CID 61148730
(2S)-2-amino-N-methyl-N-pyridin-4-ylpentanamide
CID 107570953
3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide
CID 56628599
2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide
CID 106934733
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-pyridin-4-ylpropanamide
CID 106935047
methyl(pyridin-4-yl)carbamic acid
CID 54205463
(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide
CID 61164093

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide?
The IUPAC name of (2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide (CID 106935125) is (2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide?
The canonical SMILES for (2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide is CCC(C)[C@H](N)C(=O)N(C)c1ccncc1.
What is the InChIKey of (2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide?
The InChIKey is SFKZDCTZGQTIDH-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-9(2)11(13)12(16)15(3)10-5-7-14-8-6-10/h5-9,11H,4,13H2,1-3H3/t9?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide?
(2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide is sourced from PubChem (CID 106935125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).