N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride

C19H25Cl2N3O — CID 119474321

IUPACN-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCC(N)CC2)c(C)n1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H24ClN3O.ClH/c1-12-11-18(19(24)22-16-7-5-15(21)6-8-16)13(2)23(12)17-9-3-14(20)4-10-17;/h3-4,9-11,15-16H,5-8,21H2,1-2H3,(H,22,24);1H
InChIKeyHONLADWDXWTDCE-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.17
Rot. Bonds3

About N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride (PubChem CID 119474321) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
PubChem CID119474321
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC NameN-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCC(N)CC2)c(C)n1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H24ClN3O.ClH/c1-12-11-18(19(24)22-16-7-5-15(21)6-8-16)13(2)23(12)17-9-3-14(20)4-10-17;/h3-4,9-11,15-16H,5-8,21H2,1-2H3,(H,22,24);1H
InChIKeyHONLADWDXWTDCE-UHFFFAOYSA-N
XLogP4.17
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide
CID 120602268
1-(4-chlorophenyl)-2,5-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]pyrrole-3-carboxamide
CID 52711859
N-(2-amino-1-cyclopropylethyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119612673
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
ethyl 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbonyl]amino]piperidine-1-carboxylate
CID 7708936
N-[(2S)-1-aminopropan-2-yl]-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 120505660
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
1-(4-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119453825
2-amino-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 152935672
1-(4-chlorophenyl)-2,5-dimethyl-N-[2-(methylamino)propyl]pyrrole-3-carboxamide
CID 120826815
1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-4-ylethanone
CID 148921903

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride (CID 119474321) is N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NC2CCC(N)CC2)c(C)n1-c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The InChIKey is HONLADWDXWTDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O.ClH/c1-12-11-18(19(24)22-16-7-5-15(21)6-8-16)13(2)23(12)17-9-3-14(20)4-10-17;/h3-4,9-11,15-16H,5-8,21H2,1-2H3,(H,22,24);1H.
What are the key properties of N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 382.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119474321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).