(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide

C15H24N4O2 — CID 119860208

IUPAC(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCC(=O)NCc1cccnc1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)13(16)14(21)18-8-6-12(20)19-10-11-5-4-7-17-9-11/h4-5,7,9,13H,6,8,10,16H2,1-3H3,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyHZIHAKNACRJPFN-CYBMUJFWSA-N
MW292.38 g/mol
LogP0.58
Rot. Bonds6

About (2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide (PubChem CID 119860208) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
PubChem CID119860208
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCC(=O)NCc1cccnc1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)13(16)14(21)18-8-6-12(20)19-10-11-5-4-7-17-9-11/h4-5,7,9,13H,6,8,10,16H2,1-3H3,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyHZIHAKNACRJPFN-CYBMUJFWSA-N
XLogP0.58
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]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-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 119860192
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023591
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023524
3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023573
N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide
CID 51097080
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide (CID 119860208) is (2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide is CC(C)(C)[C@H](N)C(=O)NCCC(=O)NCc1cccnc1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide?
The InChIKey is HZIHAKNACRJPFN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)13(16)14(21)18-8-6-12(20)19-10-11-5-4-7-17-9-11/h4-5,7,9,13H,6,8,10,16H2,1-3H3,(H,18,21)(H,19,20)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide has a molecular weight of 292.38 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide is sourced from PubChem (CID 119860208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).