4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide

C22H21ClN4O3 — CID 42831252

IUPAC4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide
SMILESCCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C22H21ClN4O3/c1-2-30-19-13-24-27(18-11-5-15(23)6-12-18)22(29)20(19)25-16-7-3-14(4-8-16)21(28)26-17-9-10-17/h3-8,11-13,17,25H,2,9-10H2,1H3,(H,26,28)
InChIKeyXTHKYTUZDSUKAA-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.92
Rot. Bonds7

About 4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide

4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide (PubChem CID 42831252) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide
PubChem CID42831252
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide
SMILESCCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C22H21ClN4O3/c1-2-30-19-13-24-27(18-11-5-15(23)6-12-18)22(29)20(19)25-16-7-3-14(4-8-16)21(28)26-17-9-10-17/h3-8,11-13,17,25H,2,9-10H2,1H3,(H,26,28)
InChIKeyXTHKYTUZDSUKAA-UHFFFAOYSA-N
XLogP3.92
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(4-chlorophenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-ethylbenzamide
CID 42682100
3-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 46146882
4-[[2-(3-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 42834297
3-[[2-(3-chlorophenyl)-5-(3,4-dimethylphenoxy)-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide
CID 42832620
N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide
CID 42832502
4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide
CID 42831437
N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide
CID 46146590
1-(4-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 24587148
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
ethyl 1-[4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 55894730
4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide
CID 46002193
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide
CID 90633694

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide (CID 42831252) is 4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide is CCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide?
The InChIKey is XTHKYTUZDSUKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-2-30-19-13-24-27(18-11-5-15(23)6-12-18)22(29)20(19)25-16-7-3-14(4-8-16)21(28)26-17-9-10-17/h3-8,11-13,17,25H,2,9-10H2,1H3,(H,26,28).
What are the key properties of 4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide?
4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide has a molecular weight of 424.89 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 42831252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).