2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide

C13H21N3O — CID 54873793

IUPAC2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
SMILESCCCC(N)C(=O)N(CC)Cc1ccncc1
InChIInChI=1S/C13H21N3O/c1-3-5-12(14)13(17)16(4-2)10-11-6-8-15-9-7-11/h6-9,12H,3-5,10,14H2,1-2H3
InChIKeyNLJSABOSKWAVMF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.56
Rot. Bonds6

About 2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide

2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide (PubChem CID 54873793) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
PubChem CID54873793
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
SMILESCCCC(N)C(=O)N(CC)Cc1ccncc1
InChIInChI=1S/C13H21N3O/c1-3-5-12(14)13(17)16(4-2)10-11-6-8-15-9-7-11/h6-9,12H,3-5,10,14H2,1-2H3
InChIKeyNLJSABOSKWAVMF-UHFFFAOYSA-N
XLogP1.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 93372926
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675
2-amino-N-ethyl-N-(furan-3-ylmethyl)pentanamide
CID 86784232
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
(2S)-2-amino-N-methyl-N-pyridin-4-ylpentanamide
CID 107570953
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050
(2R)-2-amino-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pentanamide
CID 113267614
(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60938216
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
CID 10125724
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide?
The IUPAC name of 2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide (CID 54873793) is 2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide is CCCC(N)C(=O)N(CC)Cc1ccncc1.
What is the InChIKey of 2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide?
The InChIKey is NLJSABOSKWAVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-5-12(14)13(17)16(4-2)10-11-6-8-15-9-7-11/h6-9,12H,3-5,10,14H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide?
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide is sourced from PubChem (CID 54873793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).