1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

C15H23N3O — CID 115441427

IUPAC1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C15H23N3O/c1-12-4-6-15(11-16,7-5-12)14(19)18-10-13-3-2-8-17-9-13/h2-3,8-9,12H,4-7,10-11,16H2,1H3,(H,18,19)
InChIKeyMLGZUUDTNDFCGL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.85
Rot. Bonds4

About 1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 115441427) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID115441427
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C15H23N3O/c1-12-4-6-15(11-16,7-5-12)14(19)18-10-13-3-2-8-17-9-13/h2-3,8-9,12H,4-7,10-11,16H2,1H3,(H,18,19)
InChIKeyMLGZUUDTNDFCGL-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide
CID 80588086
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
4-methyl-1-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 79425432
1-(aminomethyl)-4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115442067
1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970227
1-[(E)-N'-hydroxycarbamimidoyl]-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 80591201
(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98086101
1-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylcyclohexane-1-carboxamide
CID 115441643
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea
CID 108911674
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (CID 115441427) is 1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is MLGZUUDTNDFCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-4-6-15(11-16,7-5-12)14(19)18-10-13-3-2-8-17-9-13/h2-3,8-9,12H,4-7,10-11,16H2,1H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115441427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).