(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide

C13H21N3O — CID 93096829

IUPAC(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-9(2)8-12(14)13(17)16-10(3)11-4-6-15-7-5-11/h4-7,9-10,12H,8,14H2,1-3H3,(H,16,17)/t10-,12+/m0/s1
InChIKeyMLKSPIGAMHGOQZ-CMPLNLGQSA-N
MW235.33 g/mol
LogP1.63
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide

(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide (PubChem CID 93096829) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
PubChem CID93096829
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-9(2)8-12(14)13(17)16-10(3)11-4-6-15-7-5-11/h4-7,9-10,12H,8,14H2,1-3H3,(H,16,17)/t10-,12+/m0/s1
InChIKeyMLKSPIGAMHGOQZ-CMPLNLGQSA-N
XLogP1.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 81354853
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81370961
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81409558
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572
2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide
CID 166276302

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide (CID 93096829) is (2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide is CC(C)C[C@@H](N)C(=O)N[C@@H](C)c1ccncc1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide?
The InChIKey is MLKSPIGAMHGOQZ-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)8-12(14)13(17)16-10(3)11-4-6-15-7-5-11/h4-7,9-10,12H,8,14H2,1-3H3,(H,16,17)/t10-,12+/m0/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide?
(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide is sourced from PubChem (CID 93096829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).