2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide

C13H21N3O — CID 81409725

IUPAC2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
SMILESCCCCC(N)C(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-3-4-5-12(14)13(17)16-10(2)11-6-8-15-9-7-11/h6-10,12H,3-5,14H2,1-2H3,(H,16,17)/t10-,12?/m0/s1
InChIKeyUQHBRPDRKZUXHZ-NUHJPDEHSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds6

About 2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide

2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide (PubChem CID 81409725) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
PubChem CID81409725
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
SMILESCCCCC(N)C(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-3-4-5-12(14)13(17)16-10(2)11-6-8-15-9-7-11/h6-10,12H,3-5,14H2,1-2H3,(H,16,17)/t10-,12?/m0/s1
InChIKeyUQHBRPDRKZUXHZ-NUHJPDEHSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.78
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-N-(1-pyridin-3-ylethyl)hexanamide
CID 103831911
(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
2-amino-N-[1-(4-ethylphenyl)ethyl]hexanamide
CID 54928586
(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
CID 93096829
2-amino-N-[1-(4-ethoxyphenyl)ethyl]hexanamide
CID 60854414
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 103831127
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
CID 81372543
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169
2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide?
The IUPAC name of 2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide (CID 81409725) is 2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide is CCCCC(N)C(=O)N[C@@H](C)c1ccncc1.
What is the InChIKey of 2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide?
The InChIKey is UQHBRPDRKZUXHZ-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-5-12(14)13(17)16-10(2)11-6-8-15-9-7-11/h6-10,12H,3-5,14H2,1-2H3,(H,16,17)/t10-,12?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide?
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide has a molecular weight of 235.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide is sourced from PubChem (CID 81409725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).