N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

C22H22ClN3O3 — CID 16885126

IUPACN-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C22H22ClN3O3/c1-29-18-10-8-16(9-11-18)20-12-13-22(28)26(25-20)14-4-7-21(27)24-15-17-5-2-3-6-19(17)23/h2-3,5-6,8-13H,4,7,14-15H2,1H3,(H,24,27)
InChIKeyHWZZEVSFZAFIKB-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.67
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885126) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885126
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C22H22ClN3O3/c1-29-18-10-8-16(9-11-18)20-12-13-22(28)26(25-20)14-4-7-21(27)24-15-17-5-2-3-6-19(17)23/h2-3,5-6,8-13H,4,7,14-15H2,1H3,(H,24,27)
InChIKeyHWZZEVSFZAFIKB-UHFFFAOYSA-N
XLogP3.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885281
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 16885051
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
N-[(4-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885202
2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885167
N-[(4-chlorophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885276
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885044
N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885406
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 41240937
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 16885174
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 16885105

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885126) is N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is COc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is HWZZEVSFZAFIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-29-18-10-8-16(9-11-18)20-12-13-22(28)26(25-20)14-4-7-21(27)24-15-17-5-2-3-6-19(17)23/h2-3,5-6,8-13H,4,7,14-15H2,1H3,(H,24,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 411.89 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).