N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide

C19H17ClN4O — CID 109127162

IUPACN-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(N(C)c2ccccc2)nn1
InChIInChI=1S/C19H17ClN4O/c1-13-15(20)9-6-10-16(13)21-19(25)17-11-12-18(23-22-17)24(2)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,21,25)
InChIKeyRBGOQGOJFUQNQI-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.46
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide (PubChem CID 109127162) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
PubChem CID109127162
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(N(C)c2ccccc2)nn1
InChIInChI=1S/C19H17ClN4O/c1-13-15(20)9-6-10-16(13)21-19(25)17-11-12-18(23-22-17)24(2)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,21,25)
InChIKeyRBGOQGOJFUQNQI-UHFFFAOYSA-N
XLogP4.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109125594
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236
N-(3-chloro-4-methoxyphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127167
6-(N-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109127197
6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109127184
6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453081
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109123397
6-N-(3-chloro-2-methylphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100060
N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128462
N-(2,3-dichlorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705384
N-(2,3-dimethylphenyl)-6-phenylpyridazine-3-carboxamide
CID 113200610

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide (CID 109127162) is N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc(N(C)c2ccccc2)nn1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide?
The InChIKey is RBGOQGOJFUQNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-15(20)9-6-10-16(13)21-19(25)17-11-12-18(23-22-17)24(2)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,21,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109127162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).