1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide

C24H26ClN5O — CID 122321956

IUPAC1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide
SMILESCN(C)c1cnnc(Nc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)c1
InChIInChI=1S/C24H26ClN5O/c1-30(2)21-15-22(29-26-16-21)27-19-9-11-20(12-10-19)28-23(31)24(13-3-4-14-24)17-5-7-18(25)8-6-17/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,27,29)(H,28,31)
InChIKeyZXDGDHZSYNMIPO-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.39
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide (PubChem CID 122321956) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide
PubChem CID122321956
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide
SMILESCN(C)c1cnnc(Nc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)c1
InChIInChI=1S/C24H26ClN5O/c1-30(2)21-15-22(29-26-16-21)27-19-9-11-20(12-10-19)28-23(31)24(13-3-4-14-24)17-5-7-18(25)8-6-17/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,27,29)(H,28,31)
InChIKeyZXDGDHZSYNMIPO-UHFFFAOYSA-N
XLogP5.39
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide
CID 122355071
1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321903
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea
CID 122321847
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 55674742
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321868
1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122301531
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide
CID 122321800
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide
CID 122321830
1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide
CID 100781335
1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide (CID 122321956) is 1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide is CN(C)c1cnnc(Nc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide?
The InChIKey is ZXDGDHZSYNMIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-30(2)21-15-22(29-26-16-21)27-19-9-11-20(12-10-19)28-23(31)24(13-3-4-14-24)17-5-7-18(25)8-6-17/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,27,29)(H,28,31).
What are the key properties of 1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 122321956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).