2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide

C15H23N3O — CID 114955964

IUPAC2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccncc1CNC(=O)C1CCCCC1CN
InChIInChI=1S/C15H23N3O/c1-11-6-7-17-9-13(11)10-18-15(19)14-5-3-2-4-12(14)8-16/h6-7,9,12,14H,2-5,8,10,16H2,1H3,(H,18,19)
InChIKeyLEECNRWFVYGNLK-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.77
Rot. Bonds4

About 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide

2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide (PubChem CID 114955964) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
PubChem CID114955964
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccncc1CNC(=O)C1CCCCC1CN
InChIInChI=1S/C15H23N3O/c1-11-6-7-17-9-13(11)10-18-15(19)14-5-3-2-4-12(14)8-16/h6-7,9,12,14H,2-5,8,10,16H2,1H3,(H,18,19)
InChIKeyLEECNRWFVYGNLK-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 114956009
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 112669577
N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 114956004
N-[(4-methyl-3-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 114956070
1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 114956193
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404734
N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 114956035
3-[(4-methyl-3-pyridinyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 114954619
2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 82873603
3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114957079
2-[(2-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43399826
3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
CID 104580210

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide (CID 114955964) is 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide is Cc1ccncc1CNC(=O)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is LEECNRWFVYGNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-6-7-17-9-13(11)10-18-15(19)14-5-3-2-4-12(14)8-16/h6-7,9,12,14H,2-5,8,10,16H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 114955964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).