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

C12H19N3O — CID 43107780

IUPAC2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCc1ccncc1
InChIInChI=1S/C12H19N3O/c1-9(2)7-11(13)12(16)15-8-10-3-5-14-6-4-10/h3-6,9,11H,7-8,13H2,1-2H3,(H,15,16)
InChIKeyDPEAQMUPYXECHP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.07
Rot. Bonds5

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

2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide (PubChem CID 43107780) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
PubChem CID43107780
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCc1ccncc1
InChIInChI=1S/C12H19N3O/c1-9(2)7-11(13)12(16)15-8-10-3-5-14-6-4-10/h3-6,9,11H,7-8,13H2,1-2H3,(H,15,16)
InChIKeyDPEAQMUPYXECHP-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide
CID 143591085
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-4-methylpentanamide
CID 61177955
(2S)-2-amino-4-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 119838497
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 61148298
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide (CID 43107780) is 2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide is CC(C)CC(N)C(=O)NCc1ccncc1.
What is the InChIKey of 2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide?
The InChIKey is DPEAQMUPYXECHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)7-11(13)12(16)15-8-10-3-5-14-6-4-10/h3-6,9,11H,7-8,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide?
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide is sourced from PubChem (CID 43107780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).