N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide

C20H19ClN4O3 — CID 113047725

IUPACN-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Nc2ccc(Cl)cc2C)nn1
InChIInChI=1S/C20H19ClN4O3/c1-12-11-13(21)7-8-14(12)22-17-9-10-18(25-24-17)23-20(26)19-15(27-2)5-4-6-16(19)28-3/h4-11H,1-3H3,(H,22,24)(H,23,25,26)
InChIKeySIEWNOWVKACJTA-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.45
Rot. Bonds6

About N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide

N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide (PubChem CID 113047725) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide
PubChem CID113047725
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Nc2ccc(Cl)cc2C)nn1
InChIInChI=1S/C20H19ClN4O3/c1-12-11-13(21)7-8-14(12)22-17-9-10-18(25-24-17)23-20(26)19-15(27-2)5-4-6-16(19)28-3/h4-11H,1-3H3,(H,22,24)(H,23,25,26)
InChIKeySIEWNOWVKACJTA-UHFFFAOYSA-N
XLogP4.45
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048572
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850264
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302
N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128908
N-(2,4-dichlorophenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129176
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114007
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047986
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113033566
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113050853
2-chloro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048567

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide (CID 113047725) is N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(Nc2ccc(Cl)cc2C)nn1.
What is the InChIKey of N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide?
The InChIKey is SIEWNOWVKACJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-11-13(21)7-8-14(12)22-17-9-10-18(25-24-17)23-20(26)19-15(27-2)5-4-6-16(19)28-3/h4-11H,1-3H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide?
N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide has a molecular weight of 398.85 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113047725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).