N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide

C19H17ClN4O — CID 113047624

IUPACN-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
SMILESCc1c(Cl)cccc1Nc1ccc(NC(=O)Cc2ccccc2)nn1
InChIInChI=1S/C19H17ClN4O/c1-13-15(20)8-5-9-16(13)21-17-10-11-18(24-23-17)22-19(25)12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyWZJXITOKYAZPAO-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.36
Rot. Bonds5

About N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide

N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide (PubChem CID 113047624) has the molecular formula C19H17ClN4O and a molecular weight of 352.82 g/mol. Its IUPAC name is N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
PubChem CID113047624
Molecular FormulaC19H17ClN4O
Molecular Weight352.82 g/mol
Exact Mass352.11
IUPAC NameN-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
SMILESCc1c(Cl)cccc1Nc1ccc(NC(=O)Cc2ccccc2)nn1
InChIInChI=1S/C19H17ClN4O/c1-13-15(20)8-5-9-16(13)21-17-10-11-18(24-23-17)22-19(25)12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyWZJXITOKYAZPAO-UHFFFAOYSA-N
XLogP4.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide
CID 113047604
1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113047638
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113018700
N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113050061
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124439
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050922
6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119356
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047370
2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
CID 113046587
2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 63589257
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047377

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide (CID 113047624) is N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide is Cc1c(Cl)cccc1Nc1ccc(NC(=O)Cc2ccccc2)nn1.
What is the InChIKey of N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide?
The InChIKey is WZJXITOKYAZPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-15(20)8-5-9-16(13)21-17-10-11-18(24-23-17)22-19(25)12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide?
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide has a molecular weight of 352.82 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 113047624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).