(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide

C11H17N3O — CID 61148096

IUPAC(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccncc1
InChIInChI=1S/C11H17N3O/c1-3-8(2)10(12)11(15)14-9-4-6-13-7-5-9/h4-8,10H,3,12H2,1-2H3,(H,13,14,15)/t8-,10-/m0/s1
InChIKeyLQNKVYSCVFPPNL-WPRPVWTQSA-N
MW207.28 g/mol
LogP1.39
Rot. Bonds4

About (2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide

(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide (PubChem CID 61148096) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
PubChem CID61148096
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccncc1
InChIInChI=1S/C11H17N3O/c1-3-8(2)10(12)11(15)14-9-4-6-13-7-5-9/h4-8,10H,3,12H2,1-2H3,(H,13,14,15)/t8-,10-/m0/s1
InChIKeyLQNKVYSCVFPPNL-WPRPVWTQSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 119832869
2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
CID 119886968
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
(2R)-2-amino-N-pyridin-4-ylpropanamide
CID 78972247
(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide
CID 110837827

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide (CID 61148096) is (2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccncc1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide?
The InChIKey is LQNKVYSCVFPPNL-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-8(2)10(12)11(15)14-9-4-6-13-7-5-9/h4-8,10H,3,12H2,1-2H3,(H,13,14,15)/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide?
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide has a molecular weight of 207.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide is sourced from PubChem (CID 61148096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).