2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide

C13H21N3O — CID 81405246

IUPAC2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
SMILESCCC(C)C(N)C(=O)N[C@@H](C)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-4-9(2)12(14)13(17)16-10(3)11-6-5-7-15-8-11/h5-10,12H,4,14H2,1-3H3,(H,16,17)/t9?,10-,12?/m0/s1
InChIKeyQHUMVBLESFZUTQ-YZRBJQDESA-N
MW235.33 g/mol
LogP1.63
Rot. Bonds5

About 2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide

2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide (PubChem CID 81405246) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
PubChem CID81405246
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
SMILESCCC(C)C(N)C(=O)N[C@@H](C)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-4-9(2)12(14)13(17)16-10(3)11-6-5-7-15-8-11/h5-10,12H,4,14H2,1-3H3,(H,16,17)/t9?,10-,12?/m0/s1
InChIKeyQHUMVBLESFZUTQ-YZRBJQDESA-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

2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062
(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 103831911
(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
CID 93341134
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
(2S,3S)-2-amino-3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61178738
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide (CID 81405246) is 2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide is CCC(C)C(N)C(=O)N[C@@H](C)c1cccnc1.
What is the InChIKey of 2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide?
The InChIKey is QHUMVBLESFZUTQ-YZRBJQDESA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-9(2)12(14)13(17)16-10(3)11-6-5-7-15-8-11/h5-10,12H,4,14H2,1-3H3,(H,16,17)/t9?,10-,12?/m0/s1.
What are the key properties of 2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide?
2-amino-3-methyl-N-[(1S)-1-pyridin-3-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 2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide is sourced from PubChem (CID 81405246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).