N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide

C17H19ClN4O2 — CID 113050998

IUPACN-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(NC(=O)C2CCC2)nn1
InChIInChI=1S/C17H19ClN4O2/c1-10-8-13(14(24-2)9-12(10)18)19-15-6-7-16(22-21-15)20-17(23)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyFUMQGPXSKMKIPT-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.93
Rot. Bonds5

About N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide

N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide (PubChem CID 113050998) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide
PubChem CID113050998
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(NC(=O)C2CCC2)nn1
InChIInChI=1S/C17H19ClN4O2/c1-10-8-13(14(24-2)9-12(10)18)19-15-6-7-16(22-21-15)20-17(23)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyFUMQGPXSKMKIPT-UHFFFAOYSA-N
XLogP3.93
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113050980
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113022471
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128448
3-(4-chloro-2-methoxy-5-methylanilino)-6-(dimethylsulfamoylamino)pyridazine
CID 113051006
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109130116
N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036885
2-chloro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048567
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114435
1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea
CID 113036939
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47205603
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121501

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide (CID 113050998) is N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide is COc1cc(Cl)c(C)cc1Nc1ccc(NC(=O)C2CCC2)nn1.
What is the InChIKey of N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide?
The InChIKey is FUMQGPXSKMKIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-10-8-13(14(24-2)9-12(10)18)19-15-6-7-16(22-21-15)20-17(23)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide?
N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide has a molecular weight of 346.82 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 113050998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).