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

C12H19N3O — CID 107570248

IUPAC(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)N[C@H](C)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-3-4-11(13)12(16)15-9(2)10-5-7-14-8-6-10/h5-9,11H,3-4,13H2,1-2H3,(H,15,16)/t9-,11-/m1/s1
InChIKeyUCPULYRTWCDNTB-MWLCHTKSSA-N
MW221.30 g/mol
LogP1.39
Rot. Bonds5

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

(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide (PubChem CID 107570248) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
PubChem CID107570248
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)N[C@H](C)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-3-4-11(13)12(16)15-9(2)10-5-7-14-8-6-10/h5-9,11H,3-4,13H2,1-2H3,(H,15,16)/t9-,11-/m1/s1
InChIKeyUCPULYRTWCDNTB-MWLCHTKSSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
CID 93096829
2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81409558
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 107568369
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide (CID 107570248) is (2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide is CCC[C@@H](N)C(=O)N[C@H](C)c1ccncc1.
What is the InChIKey of (2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide?
The InChIKey is UCPULYRTWCDNTB-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-4-11(13)12(16)15-9(2)10-5-7-14-8-6-10/h5-9,11H,3-4,13H2,1-2H3,(H,15,16)/t9-,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide?
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide is sourced from PubChem (CID 107570248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).