6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide

C16H17ClN4O — CID 109112372

IUPAC6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H17ClN4O/c17-11-5-7-13(8-6-11)18-15-10-9-14(20-21-15)16(22)19-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,18,21)(H,19,22)
InChIKeyRKLIEYIXOMSMJP-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.55
Rot. Bonds4

About 6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide

6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide (PubChem CID 109112372) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide
PubChem CID109112372
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H17ClN4O/c17-11-5-7-13(8-6-11)18-15-10-9-14(20-21-15)16(22)19-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,18,21)(H,19,22)
InChIKeyRKLIEYIXOMSMJP-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113080
N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109112406
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110178
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide
CID 109113116
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204096
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-cyclopropyl-6-[4-(diethylamino)anilino]pyridazine-3-carboxamide
CID 109110139

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide (CID 109112372) is 6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide is O=C(NC1CCCC1)c1ccc(Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide?
The InChIKey is RKLIEYIXOMSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-11-5-7-13(8-6-11)18-15-10-9-14(20-21-15)16(22)19-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,18,21)(H,19,22).
What are the key properties of 6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide?
6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide is sourced from PubChem (CID 109112372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).