4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide

C15H23N3O — CID 115117058

IUPAC4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1cc(CN)ccn1
InChIInChI=1S/C15H23N3O/c1-18(11-12-5-3-2-4-6-12)15(19)14-9-13(10-16)7-8-17-14/h7-9,12H,2-6,10-11,16H2,1H3
InChIKeyKNUWJMCRUGFFSA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.19
Rot. Bonds4

About 4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide

4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide (PubChem CID 115117058) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide
PubChem CID115117058
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1cc(CN)ccn1
InChIInChI=1S/C15H23N3O/c1-18(11-12-5-3-2-4-6-12)15(19)14-9-13(10-16)7-8-17-14/h7-9,12H,2-6,10-11,16H2,1H3
InChIKeyKNUWJMCRUGFFSA-UHFFFAOYSA-N
XLogP2.19
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55047491
4-(aminomethyl)-N-ethyl-N-methylpyridine-2-carboxamide
CID 115116977
2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
CID 114326567
4-(aminomethyl)-N-(2-cyclohexylethyl)pyridine-2-carboxamide
CID 115117078
N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62244049
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 115116983
5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide
CID 113381864
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 63655157
6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 61444061
5-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63724401
4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
CID 115116934
4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116999

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide (CID 115117058) is 4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide is CN(CC1CCCCC1)C(=O)c1cc(CN)ccn1.
What is the InChIKey of 4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is KNUWJMCRUGFFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(11-12-5-3-2-4-6-12)15(19)14-9-13(10-16)7-8-17-14/h7-9,12H,2-6,10-11,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide?
4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 115117058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).