N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide

C17H21ClN4O — CID 109125184

IUPACN-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(NCCC(C)C)nn1
InChIInChI=1S/C17H21ClN4O/c1-11(2)8-9-19-16-7-6-15(21-22-16)17(23)20-14-5-4-13(18)10-12(14)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyKGPXEVCZNIBHQB-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.15
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide

N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide (PubChem CID 109125184) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
PubChem CID109125184
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(NCCC(C)C)nn1
InChIInChI=1S/C17H21ClN4O/c1-11(2)8-9-19-16-7-6-15(21-22-16)17(23)20-14-5-4-13(18)10-12(14)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyKGPXEVCZNIBHQB-UHFFFAOYSA-N
XLogP4.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125242
N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125187
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
6-N-(4-chloro-2-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099370
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354221
N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125202
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125237
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide (CID 109125184) is N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(NCCC(C)C)nn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The InChIKey is KGPXEVCZNIBHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11(2)8-9-19-16-7-6-15(21-22-16)17(23)20-14-5-4-13(18)10-12(14)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).