3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride

C21H28Cl2FN3O — CID 119875092

IUPAC3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H26FN3O.2ClH/c22-18-9-7-16(8-10-18)15-25(13-11-20-6-1-2-12-24-20)21(26)17-4-3-5-19(23)14-17;;/h1-2,6-10,12,17,19H,3-5,11,13-15,23H2;2*1H
InChIKeyNRVYHJYAQPRKBQ-UHFFFAOYSA-N
MW428.38 g/mol
LogP4.15
Rot. Bonds6

About 3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119875092) has the molecular formula C21H28Cl2FN3O and a molecular weight of 428.38 g/mol. Its IUPAC name is 3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119875092
Molecular FormulaC21H28Cl2FN3O
Molecular Weight428.38 g/mol
Exact Mass427.16
IUPAC Name3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H26FN3O.2ClH/c22-18-9-7-16(8-10-18)15-25(13-11-20-6-1-2-12-24-20)21(26)17-4-3-5-19(23)14-17;;/h1-2,6-10,12,17,19H,3-5,11,13-15,23H2;2*1H
InChIKeyNRVYHJYAQPRKBQ-UHFFFAOYSA-N
XLogP4.15
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

cis-(1R,3S)-3-amino-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 124885891
cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 133113913
N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)morpholine-2-carboxamide
CID 119875113
3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
CID 119696818
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868587
N-[(4-fluorophenyl)methyl]-2-(methylamino)-N-(2-pyridin-2-ylethyl)acetamide
CID 119875097
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799744
cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 91835660
3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119733701
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 52992577

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride (CID 119875092) is 3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is NRVYHJYAQPRKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O.2ClH/c22-18-9-7-16(8-10-18)15-25(13-11-20-6-1-2-12-24-20)21(26)17-4-3-5-19(23)14-17;;/h1-2,6-10,12,17,19H,3-5,11,13-15,23H2;2*1H.
What are the key properties of 3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 428.38 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119875092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).