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

C18H23ClN4O — CID 109125187

IUPACN-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(NCCC(C)C)nn2)c(Cl)c1
InChIInChI=1S/C18H23ClN4O/c1-11(2)7-8-20-16-6-5-15(22-23-16)18(24)21-17-13(4)9-12(3)10-14(17)19/h5-6,9-11H,7-8H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyFQWJLBBJEIJBSO-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.46
Rot. Bonds6

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

N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide (PubChem CID 109125187) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
PubChem CID109125187
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(NCCC(C)C)nn2)c(Cl)c1
InChIInChI=1S/C18H23ClN4O/c1-11(2)7-8-20-16-6-5-15(22-23-16)18(24)21-17-13(4)9-12(3)10-14(17)19/h5-6,9-11H,7-8H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyFQWJLBBJEIJBSO-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125184
N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125242
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109263556
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125237
N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125202
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
N-(4-bromo-2,6-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62167008
6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109333110

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide (CID 109125187) is N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide is Cc1cc(C)c(NC(=O)c2ccc(NCCC(C)C)nn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The InChIKey is FQWJLBBJEIJBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-11(2)7-8-20-16-6-5-15(22-23-16)18(24)21-17-13(4)9-12(3)10-14(17)19/h5-6,9-11H,7-8H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).