N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide

C14H23N3O — CID 107148441

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
SMILESCCC(CC)(CN)NC(=O)Cc1ncccc1C
InChIInChI=1S/C14H23N3O/c1-4-14(5-2,10-15)17-13(18)9-12-11(3)7-6-8-16-12/h6-8H,4-5,9-10,15H2,1-3H3,(H,17,18)
InChIKeyUTSQKPVSBARVNE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.57
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide

N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide (PubChem CID 107148441) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
PubChem CID107148441
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
SMILESCCC(CC)(CN)NC(=O)Cc1ncccc1C
InChIInChI=1S/C14H23N3O/c1-4-14(5-2,10-15)17-13(18)9-12-11(3)7-6-8-16-12/h6-8H,4-5,9-10,15H2,1-3H3,(H,17,18)
InChIKeyUTSQKPVSBARVNE-UHFFFAOYSA-N
XLogP1.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119571100
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
N-(1-aminopropan-2-yl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148434
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119571282
N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148270
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119570058
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148243
N-[(2R)-1-hydroxybutan-2-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148274
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide (CID 107148441) is N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide is CCC(CC)(CN)NC(=O)Cc1ncccc1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is UTSQKPVSBARVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-14(5-2,10-15)17-13(18)9-12-11(3)7-6-8-16-12/h6-8H,4-5,9-10,15H2,1-3H3,(H,17,18).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 107148441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).