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

C14H23N3O — CID 61163051

IUPAC(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
SMILESCCN(Cc1ccncc1)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H23N3O/c1-4-17(10-12-5-7-16-8-6-12)14(18)13(15)9-11(2)3/h5-8,11,13H,4,9-10,15H2,1-3H3/t13-/m0/s1
InChIKeyLAPFYJJPKOLEQU-ZDUSSCGKSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds6

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

(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide (PubChem CID 61163051) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
PubChem CID61163051
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
SMILESCCN(Cc1ccncc1)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H23N3O/c1-4-17(10-12-5-7-16-8-6-12)14(18)13(15)9-11(2)3/h5-8,11,13H,4,9-10,15H2,1-3H3/t13-/m0/s1
InChIKeyLAPFYJJPKOLEQU-ZDUSSCGKSA-N
XLogP1.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide (CID 61163051) is (2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide is CCN(Cc1ccncc1)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The InChIKey is LAPFYJJPKOLEQU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-17(10-12-5-7-16-8-6-12)14(18)13(15)9-11(2)3/h5-8,11,13H,4,9-10,15H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide?
(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide has a molecular weight of 249.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide is sourced from PubChem (CID 61163051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).