3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride

C15H25Cl2N3O — CID 119884887

IUPAC3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCCC(NC(=O)C1CCCC(N)C1)c1ccncc1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-2-14(11-6-8-17-9-7-11)18-15(19)12-4-3-5-13(16)10-12;;/h6-9,12-14H,2-5,10,16H2,1H3,(H,18,19);2*1H
InChIKeyZOTROTATMNGRTE-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.01
Rot. Bonds4

About 3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119884887) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119884887
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCCC(NC(=O)C1CCCC(N)C1)c1ccncc1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-2-14(11-6-8-17-9-7-11)18-15(19)12-4-3-5-13(16)10-12;;/h6-9,12-14H,2-5,10,16H2,1H3,(H,18,19);2*1H
InChIKeyZOTROTATMNGRTE-UHFFFAOYSA-N
XLogP3.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119895790
3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139
ethyl 3-[(3-aminocyclohexanecarbonyl)amino]-3-(4-fluorophenyl)propanoate;hydrochloride
CID 119755345
3-amino-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 63045756
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984546
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
3-amino-N-(1-cyclohexylpropyl)cyclohexane-1-carboxamide
CID 62776840
3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 63043944
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
(2S,3S)-2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoic acid
CID 63044886

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride (CID 119884887) is 3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride is CCC(NC(=O)C1CCCC(N)C1)c1ccncc1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is ZOTROTATMNGRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-2-14(11-6-8-17-9-7-11)18-15(19)12-4-3-5-13(16)10-12;;/h6-9,12-14H,2-5,10,16H2,1H3,(H,18,19);2*1H.
What are the key properties of 3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-(1-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 3.01, 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-pyridin-4-ylpropyl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119884887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).