3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C17H25ClN4O2 — CID 119809541

IUPAC3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cccc(N3CCCNC3=O)c2)C1
InChIInChI=1S/C17H24N4O2.ClH/c18-13-5-1-4-12(10-13)16(22)20-14-6-2-7-15(11-14)21-9-3-8-19-17(21)23;/h2,6-7,11-13H,1,3-5,8-10,18H2,(H,19,23)(H,20,22);1H
InChIKeyQBEHVTJUFMBFGG-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119809541) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119809541
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cccc(N3CCCNC3=O)c2)C1
InChIInChI=1S/C17H24N4O2.ClH/c18-13-5-1-4-12(10-13)16(22)20-14-6-2-7-15(11-14)21-9-3-8-19-17(21)23;/h2,6-7,11-13H,1,3-5,8-10,18H2,(H,19,23)(H,20,22);1H
InChIKeyQBEHVTJUFMBFGG-UHFFFAOYSA-N
XLogP2.48
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide
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3-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
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CID 103795360
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3-amino-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]cyclohexane-1-carboxamide;dihydrochloride
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2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 120795442
3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
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3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119809541) is 3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2cccc(N3CCCNC3=O)c2)C1.
What is the InChIKey of 3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is QBEHVTJUFMBFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c18-13-5-1-4-12(10-13)16(22)20-14-6-2-7-15(11-14)21-9-3-8-19-17(21)23;/h2,6-7,11-13H,1,3-5,8-10,18H2,(H,19,23)(H,20,22);1H.
What are the key properties of 3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119809541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).