N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride

C14H22Cl2FN3O — CID 119589722

IUPACN-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1cncc(F)c1)C1CCCCC1
InChIInChI=1S/C14H20FN3O.2ClH/c15-12-6-11(8-17-9-12)14(19)18-13(7-16)10-4-2-1-3-5-10;;/h6,8-10,13H,1-5,7,16H2,(H,18,19);2*1H
InChIKeyABWQXYSSYBDTJR-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.70
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride

N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride (PubChem CID 119589722) has the molecular formula C14H22Cl2FN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
PubChem CID119589722
Molecular FormulaC14H22Cl2FN3O
Molecular Weight338.25 g/mol
Exact Mass337.11
IUPAC NameN-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1cncc(F)c1)C1CCCCC1
InChIInChI=1S/C14H20FN3O.2ClH/c15-12-6-11(8-17-9-12)14(19)18-13(7-16)10-4-2-1-3-5-10;;/h6,8-10,13H,1-5,7,16H2,(H,18,19);2*1H
InChIKeyABWQXYSSYBDTJR-UHFFFAOYSA-N
XLogP2.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901
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CID 106737450
N-(2-amino-1-cyclohexylethyl)-5-phenylpyridine-3-carboxamide
CID 119590618
N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide
CID 104786341
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
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CID 81487271
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclohexylethyl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
CID 119590226
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119983682
N-(2-amino-1-cyclohexylethyl)-1-methylpyrazole-4-carboxamide
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CID 65188915

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride (CID 119589722) is N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride is Cl.Cl.NCC(NC(=O)c1cncc(F)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride?
The InChIKey is ABWQXYSSYBDTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O.2ClH/c15-12-6-11(8-17-9-12)14(19)18-13(7-16)10-4-2-1-3-5-10;;/h6,8-10,13H,1-5,7,16H2,(H,18,19);2*1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride?
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride has a molecular weight of 338.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119589722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).