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

C13H21N3O — CID 62997308

IUPAC2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
SMILESCCCC(CN)C(=O)NCc1ccc(C)nc1
InChIInChI=1S/C13H21N3O/c1-3-4-12(7-14)13(17)16-9-11-6-5-10(2)15-8-11/h5-6,8,12H,3-4,7,9,14H2,1-2H3,(H,16,17)
InChIKeyHMFFBONKZHLQSS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds6

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

2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide (PubChem CID 62997308) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
PubChem CID62997308
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
SMILESCCCC(CN)C(=O)NCc1ccc(C)nc1
InChIInChI=1S/C13H21N3O/c1-3-4-12(7-14)13(17)16-9-11-6-5-10(2)15-8-11/h5-6,8,12H,3-4,7,9,14H2,1-2H3,(H,16,17)
InChIKeyHMFFBONKZHLQSS-UHFFFAOYSA-N
XLogP1.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
CID 82984622
2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116574417
(2S)-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 94913044
(2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 94182165
2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 55211780
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 104905125
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
CID 65229446
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]pentanamide
CID 65226161
2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
CID 81428409

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide (CID 62997308) is 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide is CCCC(CN)C(=O)NCc1ccc(C)nc1.
What is the InChIKey of 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide?
The InChIKey is HMFFBONKZHLQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-12(7-14)13(17)16-9-11-6-5-10(2)15-8-11/h5-6,8,12H,3-4,7,9,14H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide?
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 62997308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).