1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride

C19H24Cl2FN3O2 — CID 119847805

IUPAC1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)CCCCC1
InChIInChI=1S/C19H22FN3O2.2ClH/c20-15-5-7-16(8-6-15)25-17-9-4-14(12-22-17)13-23-18(24)19(21)10-2-1-3-11-19;;/h4-9,12H,1-3,10-11,13,21H2,(H,23,24);2*1H
InChIKeyDLBUWBOVAASFCD-UHFFFAOYSA-N
MW416.32 g/mol
LogP4.13
Rot. Bonds5

About 1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119847805) has the molecular formula C19H24Cl2FN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119847805
Molecular FormulaC19H24Cl2FN3O2
Molecular Weight416.32 g/mol
Exact Mass415.12
IUPAC Name1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)CCCCC1
InChIInChI=1S/C19H22FN3O2.2ClH/c20-15-5-7-16(8-6-15)25-17-9-4-14(12-22-17)13-23-18(24)19(21)10-2-1-3-11-19;;/h4-9,12H,1-3,10-11,13,21H2,(H,23,24);2*1H
InChIKeyDLBUWBOVAASFCD-UHFFFAOYSA-N
XLogP4.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119849089
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849090
1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847608
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide
CID 91651889
1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878537
1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232698
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 55800584
1-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119893826
4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 87020258
1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 52642916
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55800742

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119847805) is 1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)CCCCC1.
What is the InChIKey of 1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is DLBUWBOVAASFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2.2ClH/c20-15-5-7-16(8-6-15)25-17-9-4-14(12-22-17)13-23-18(24)19(21)10-2-1-3-11-19;;/h4-9,12H,1-3,10-11,13,21H2,(H,23,24);2*1H.
What are the key properties of 1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 416.32 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119847805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).