3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride

C20H27Cl2N3O — CID 119895790

IUPAC3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCC(NC(=O)C1CCCC(N)C1)c1ccc(-c2ccncc2)cc1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-14(23-20(24)18-3-2-4-19(21)13-18)15-5-7-16(8-6-15)17-9-11-22-12-10-17;;/h5-12,14,18-19H,2-4,13,21H2,1H3,(H,23,24);2*1H
InChIKeyPUERIOROPAPLCZ-UHFFFAOYSA-N
MW396.36 g/mol
LogP4.29
Rot. Bonds4

About 3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119895790) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is 3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119895790
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCC(NC(=O)C1CCCC(N)C1)c1ccc(-c2ccncc2)cc1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-14(23-20(24)18-3-2-4-19(21)13-18)15-5-7-16(8-6-15)17-9-11-22-12-10-17;;/h5-12,14,18-19H,2-4,13,21H2,1H3,(H,23,24);2*1H
InChIKeyPUERIOROPAPLCZ-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81349509
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CID 120638054
3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119884887
3-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
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N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119688683
3-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119699854
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119720260
3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736208
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119688642

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119895790) is 3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride is CC(NC(=O)C1CCCC(N)C1)c1ccc(-c2ccncc2)cc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is PUERIOROPAPLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c1-14(23-20(24)18-3-2-4-19(21)13-18)15-5-7-16(8-6-15)17-9-11-22-12-10-17;;/h5-12,14,18-19H,2-4,13,21H2,1H3,(H,23,24);2*1H.
What are the key properties of 3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119895790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).