(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide

C13H22N4O — CID 61173712

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cccnc1N(C)C
InChIInChI=1S/C13H22N4O/c1-5-9(2)11(14)13(18)16-10-7-6-8-15-12(10)17(3)4/h6-9,11H,5,14H2,1-4H3,(H,16,18)/t9?,11-/m0/s1
InChIKeyOSROBNYLWHXBOG-UMJHXOGRSA-N
MW250.35 g/mol
LogP1.46
Rot. Bonds5

About (2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide

(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide (PubChem CID 61173712) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide
PubChem CID61173712
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cccnc1N(C)C
InChIInChI=1S/C13H22N4O/c1-5-9(2)11(14)13(18)16-10-7-6-8-15-12(10)17(3)4/h6-9,11H,5,14H2,1-4H3,(H,16,18)/t9?,11-/m0/s1
InChIKeyOSROBNYLWHXBOG-UMJHXOGRSA-N
XLogP1.46
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide 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-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
(2R)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]pentanamide
CID 107568545
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490
2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide
CID 54928517
3-amino-4-[[2-(dimethylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 64896477
(2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82963467
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 61180684
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
(2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide
CID 61154949
2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide
CID 77071895
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide (CID 61173712) is (2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1cccnc1N(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide?
The InChIKey is OSROBNYLWHXBOG-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-9(2)11(14)13(18)16-10-7-6-8-15-12(10)17(3)4/h6-9,11H,5,14H2,1-4H3,(H,16,18)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide?
(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide has a molecular weight of 250.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide is sourced from PubChem (CID 61173712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).