2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide

C13H21N3O — CID 62073575

IUPAC2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccc(C)nc1
InChIInChI=1S/C13H21N3O/c1-4-9(2)12(14)13(17)16-8-11-6-5-10(3)15-7-11/h5-7,9,12H,4,8,14H2,1-3H3,(H,16,17)
InChIKeyPSPWQVVNHZJCIA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds5

About 2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide

2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide (PubChem CID 62073575) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
PubChem CID62073575
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccc(C)nc1
InChIInChI=1S/C13H21N3O/c1-4-9(2)12(14)13(17)16-8-11-6-5-10(3)15-7-11/h5-7,9,12H,4,8,14H2,1-3H3,(H,16,17)
InChIKeyPSPWQVVNHZJCIA-UHFFFAOYSA-N
XLogP1.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
(2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 94182165
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 55211780
2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
CID 119714373
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 104905125
(2S,3S)-2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylpentanamide
CID 61155382
2-amino-3-methyl-N-(pyridin-3-ylmethyl)pentanamide;2,2,2-trifluoroacetic acid
CID 22068505
2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119747912

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide (CID 62073575) is 2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide is CCC(C)C(N)C(=O)NCc1ccc(C)nc1.
What is the InChIKey of 2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide?
The InChIKey is PSPWQVVNHZJCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-9(2)12(14)13(17)16-8-11-6-5-10(3)15-7-11/h5-7,9,12H,4,8,14H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide?
2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 62073575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).