2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide

C15H23N3O — CID 104678205

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H23N3O/c1-12-5-8-17-10-13(12)18-14(19)9-15(11-16)6-3-2-4-7-15/h5,8,10H,2-4,6-7,9,11,16H2,1H3,(H,18,19)
InChIKeyQBYZVXGEWZCYPK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.63
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide (PubChem CID 104678205) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide
PubChem CID104678205
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H23N3O/c1-12-5-8-17-10-13(12)18-14(19)9-15(11-16)6-3-2-4-7-15/h5,8,10H,2-4,6-7,9,11,16H2,1H3,(H,18,19)
InChIKeyQBYZVXGEWZCYPK-UHFFFAOYSA-N
XLogP2.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-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

2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727167
2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106954350
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 104677502
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 81178920
N-(4-methyl-3-pyridinyl)-2-[(1-phenylcyclohexyl)amino]acetamide
CID 154725397
1-amino-N-(4-methyl-3-pyridinyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119858196
2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide
CID 104677439
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63671026
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
CID 63327479

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide (CID 104678205) is 2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide is Cc1ccncc1NC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is QBYZVXGEWZCYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-8-17-10-13(12)18-14(19)9-15(11-16)6-3-2-4-7-15/h5,8,10H,2-4,6-7,9,11,16H2,1H3,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 104678205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).