N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride

C20H27Cl2N3O — CID 119610704

IUPACN-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
SMILESCc1nc(-c2ccccc2)ccc1C(=O)NC1CCCCC1CN.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-14-17(11-12-19(22-14)15-7-3-2-4-8-15)20(24)23-18-10-6-5-9-16(18)13-21;;/h2-4,7-8,11-12,16,18H,5-6,9-10,13,21H2,1H3,(H,23,24);2*1H
InChIKeyWWOKHRMRETXJMX-UHFFFAOYSA-N
MW396.36 g/mol
LogP4.15
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119610704) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
PubChem CID119610704
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
SMILESCc1nc(-c2ccccc2)ccc1C(=O)NC1CCCCC1CN.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-14-17(11-12-19(22-14)15-7-3-2-4-8-15)20(24)23-18-10-6-5-9-16(18)13-21;;/h2-4,7-8,11-12,16,18H,5-6,9-10,13,21H2,1H3,(H,23,24);2*1H
InChIKeyWWOKHRMRETXJMX-UHFFFAOYSA-N
XLogP4.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119609453
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-6-phenylpyridine-3-carboxamide
CID 31847366
N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119600903
N-cyclohexyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 3410229
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-(2-amino-2-methylpropyl)-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119627957
N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119612413
N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119612480
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 120508416

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride (CID 119610704) is N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride is Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCCCC1CN.Cl.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is WWOKHRMRETXJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c1-14-17(11-12-19(22-14)15-7-3-2-4-8-15)20(24)23-18-10-6-5-9-16(18)13-21;;/h2-4,7-8,11-12,16,18H,5-6,9-10,13,21H2,1H3,(H,23,24);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119610704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).