(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide

C14H22N4O2 — CID 61180630

IUPAC(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C14H22N4O2/c1-10(2)13(15)14(19)17-11-3-4-12(16-9-11)18-5-7-20-8-6-18/h3-4,9-10,13H,5-8,15H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeySMPLEWHZLZBZOE-ZDUSSCGKSA-N
MW278.36 g/mol
LogP0.84
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide

(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide (PubChem CID 61180630) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
PubChem CID61180630
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C14H22N4O2/c1-10(2)13(15)14(19)17-11-3-4-12(16-9-11)18-5-7-20-8-6-18/h3-4,9-10,13H,5-8,15H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeySMPLEWHZLZBZOE-ZDUSSCGKSA-N
XLogP0.84
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)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-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 43044639
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2-(carbamoylamino)-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)pentanamide
CID 43044640
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
2-(4-bromophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 24590426
1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47221090
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
(2R)-2-amino-3,3-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 103928713
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 30770667
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide (CID 61180630) is (2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide is CC(C)[C@H](N)C(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide?
The InChIKey is SMPLEWHZLZBZOE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)13(15)14(19)17-11-3-4-12(16-9-11)18-5-7-20-8-6-18/h3-4,9-10,13H,5-8,15H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide?
(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide has a molecular weight of 278.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 61180630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).