(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide

C17H21N3O — CID 104984672

IUPAC(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
SMILESC[C@@H](NC(=O)[C@@H](N)CCc1ccccc1)c1cccnc1
InChIInChI=1S/C17H21N3O/c1-13(15-8-5-11-19-12-15)20-17(21)16(18)10-9-14-6-3-2-4-7-14/h2-8,11-13,16H,9-10,18H2,1H3,(H,20,21)/t13-,16+/m1/s1
InChIKeySWVPQPHOHZHIEH-CJNGLKHVSA-N
MW283.38 g/mol
LogP2.22
Rot. Bonds6

About (2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide

(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide (PubChem CID 104984672) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
PubChem CID104984672
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
SMILESC[C@@H](NC(=O)[C@@H](N)CCc1ccccc1)c1cccnc1
InChIInChI=1S/C17H21N3O/c1-13(15-8-5-11-19-12-15)20-17(21)16(18)10-9-14-6-3-2-4-7-14/h2-8,11-13,16H,9-10,18H2,1H3,(H,20,21)/t13-,16+/m1/s1
InChIKeySWVPQPHOHZHIEH-CJNGLKHVSA-N
XLogP2.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 103831911
(2S)-2-amino-4-methylsulfanyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81405060
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
CID 93341134
2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 104905410
3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride
CID 119863805
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
CID 119998833
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
(2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide
CID 100653110
2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
CID 119875674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide?
The IUPAC name of (2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide (CID 104984672) is (2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide?
The canonical SMILES for (2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide is C[C@@H](NC(=O)[C@@H](N)CCc1ccccc1)c1cccnc1.
What is the InChIKey of (2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide?
The InChIKey is SWVPQPHOHZHIEH-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(15-8-5-11-19-12-15)20-17(21)16(18)10-9-14-6-3-2-4-7-14/h2-8,11-13,16H,9-10,18H2,1H3,(H,20,21)/t13-,16+/m1/s1.
What are the key properties of (2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide?
(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide has a molecular weight of 283.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide is sourced from PubChem (CID 104984672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).