(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide

C12H19N3O — CID 107568774

IUPAC(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCCc1ccncc1
InChIInChI=1S/C12H19N3O/c1-2-3-11(13)12(16)15-9-6-10-4-7-14-8-5-10/h4-5,7-8,11H,2-3,6,9,13H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyZZOSBPUYKFFOQN-NSHDSACASA-N
MW221.30 g/mol
LogP0.87
Rot. Bonds6

About (2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide

(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide (PubChem CID 107568774) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
PubChem CID107568774
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCCc1ccncc1
InChIInChI=1S/C12H19N3O/c1-2-3-11(13)12(16)15-9-6-10-4-7-14-8-5-10/h4-5,7-8,11H,2-3,6,9,13H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyZZOSBPUYKFFOQN-NSHDSACASA-N
XLogP0.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 64890850
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
ethyl 3,3-dimethyl-2-(2-pyridin-4-ylethylcarbamoyl)butanoate
CID 116537797
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 63239940
1-pyridin-4-ylhexan-3-amine
CID 105080578
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
2-amino-N-(5-phenylpentyl)pentanamide;hydrochloride
CID 119317079
N-pentan-2-yl-2-(2-pyridin-4-ylethylamino)propanamide
CID 60903136

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide (CID 107568774) is (2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide is CCC[C@H](N)C(=O)NCCc1ccncc1.
What is the InChIKey of (2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide?
The InChIKey is ZZOSBPUYKFFOQN-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-11(13)12(16)15-9-6-10-4-7-14-8-5-10/h4-5,7-8,11H,2-3,6,9,13H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide?
(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide has a molecular weight of 221.30 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide is sourced from PubChem (CID 107568774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).