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

C21H20ClN3O3 — CID 5064719

IUPACN-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCC(C(=O)Nc1cccc(Cl)c1)n1nc(-c2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C21H20ClN3O3/c1-3-19(21(27)23-16-6-4-5-15(22)13-16)25-20(26)12-11-18(24-25)14-7-9-17(28-2)10-8-14/h4-13,19H,3H2,1-2H3,(H,23,27)
InChIKeyBTTVFFGHAJQRPZ-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.16
Rot. Bonds6

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

N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 5064719) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID5064719
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCC(C(=O)Nc1cccc(Cl)c1)n1nc(-c2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C21H20ClN3O3/c1-3-19(21(27)23-16-6-4-5-15(22)13-16)25-20(26)12-11-18(24-25)14-7-9-17(28-2)10-8-14/h4-13,19H,3H2,1-2H3,(H,23,27)
InChIKeyBTTVFFGHAJQRPZ-UHFFFAOYSA-N
XLogP4.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623281
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 40640795
N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 25249749
(2R)-N-(2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623427
ethyl (2S)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7660049
N-(4-chlorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 51345696
N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 51345697
methyl 4-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate
CID 43883154
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
(2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 94009917
(2S)-2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 95054473
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
CID 8646046

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 5064719) is N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is CCC(C(=O)Nc1cccc(Cl)c1)n1nc(-c2ccc(OC)cc2)ccc1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is BTTVFFGHAJQRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-3-19(21(27)23-16-6-4-5-15(22)13-16)25-20(26)12-11-18(24-25)14-7-9-17(28-2)10-8-14/h4-13,19H,3H2,1-2H3,(H,23,27).
What are the key properties of N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 397.86 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 5064719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).