(2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide

C15H23N3O — CID 138006096

IUPAC(2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide
SMILESCC1(NC(=O)[C@@H](N)Cc2ccncc2)CCCCC1
InChIInChI=1S/C15H23N3O/c1-15(7-3-2-4-8-15)18-14(19)13(16)11-12-5-9-17-10-6-12/h5-6,9-10,13H,2-4,7-8,11,16H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyLUYVUZYDZYUONL-ZDUSSCGKSA-N
MW261.37 g/mol
LogP1.79
Rot. Bonds4

About (2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide

(2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide (PubChem CID 138006096) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide
PubChem CID138006096
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide
SMILESCC1(NC(=O)[C@@H](N)Cc2ccncc2)CCCCC1
InChIInChI=1S/C15H23N3O/c1-15(7-3-2-4-8-15)18-14(19)13(16)11-12-5-9-17-10-6-12/h5-6,9-10,13H,2-4,7-8,11,16H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyLUYVUZYDZYUONL-ZDUSSCGKSA-N
XLogP1.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-(1-methylcyclobutyl)propanamide
CID 114350759
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(1-methylcyclopentyl)propanamide
CID 61369463
N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide
CID 20668330
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374
1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 76894205
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
2-[[(2S)-2-amino-3-pyridin-4-ylpropanoyl]amino]-2-methylpropanoyl iodide
CID 175802703
S-methyl (2S)-2-amino-3-pyridin-4-ylpropanethioate
CID 167273372
2-amino-N-propan-2-yl-3-pyridazin-4-ylpropanamide
CID 165466186
(2R)-2-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
CID 104866236
(2S)-2-amino-N,N-dimethyl-3-pyridin-4-ylpropanamide
CID 67430342
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 61148298

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide (CID 138006096) is (2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide is CC1(NC(=O)[C@@H](N)Cc2ccncc2)CCCCC1.
What is the InChIKey of (2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide?
The InChIKey is LUYVUZYDZYUONL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(7-3-2-4-8-15)18-14(19)13(16)11-12-5-9-17-10-6-12/h5-6,9-10,13H,2-4,7-8,11,16H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide?
(2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-methylcyclohexyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 138006096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).