N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide

C16H17ClN4O — CID 109112186

IUPACN-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(NC2CCCC2)nn1
InChIInChI=1S/C16H17ClN4O/c17-11-5-7-13(8-6-11)19-16(22)14-9-10-15(21-20-14)18-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,18,21)(H,19,22)
InChIKeyMPBJKUXZAZXHBR-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.74
Rot. Bonds4

About N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide

N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide (PubChem CID 109112186) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
PubChem CID109112186
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC NameN-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(NC2CCCC2)nn1
InChIInChI=1S/C16H17ClN4O/c17-11-5-7-13(8-6-11)19-16(22)14-9-10-15(21-20-14)18-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,18,21)(H,19,22)
InChIKeyMPBJKUXZAZXHBR-UHFFFAOYSA-N
XLogP3.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
6-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109112976
6-(cyclohexylamino)-N-(2,4-dichlorophenyl)pyridazine-3-carboxamide
CID 109112961
N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112196
6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide
CID 109112372
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109109943
N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112915
6-(cyclopropylamino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109109890
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide (CID 109112186) is N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc(NC2CCCC2)nn1.
What is the InChIKey of N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide?
The InChIKey is MPBJKUXZAZXHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-11-5-7-13(8-6-11)19-16(22)14-9-10-15(21-20-14)18-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,18,21)(H,19,22).
What are the key properties of N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide?
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109112186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).