N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide

C20H19ClN4O3 — CID 122488051

IUPACN-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
SMILESCOc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)n1
InChIInChI=1S/C20H19ClN4O3/c1-13-10-14(11-17-4-3-5-19(23-17)28-2)20(27)25(24-13)12-18(26)22-16-8-6-15(21)7-9-16/h3-10H,11-12H2,1-2H3,(H,22,26)
InChIKeyWGJIPXPOOJGMRU-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.84
Rot. Bonds6

About N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide

N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 122488051) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
PubChem CID122488051
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
SMILESCOc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)n1
InChIInChI=1S/C20H19ClN4O3/c1-13-10-14(11-17-4-3-5-19(23-17)28-2)20(27)25(24-13)12-18(26)22-16-8-6-15(21)7-9-16/h3-10H,11-12H2,1-2H3,(H,22,26)
InChIKeyWGJIPXPOOJGMRU-UHFFFAOYSA-N
XLogP2.84
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
CID 39354909
N-(4-bromophenyl)-2-[5-[(4-cyanophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
CID 71699064
1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786332
N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
CID 71698710
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53073409
N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]hexanamide
CID 146035589
N-(4-chlorophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795047
N-(4-chlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662883
N-(4-bromophenyl)-2-[5-[(1R)-1-(3-methoxyphenyl)pentyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
CID 66561243
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 43647566
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53335046

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide (CID 122488051) is N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide is COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is WGJIPXPOOJGMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-13-10-14(11-17-4-3-5-19(23-17)28-2)20(27)25(24-13)12-18(26)22-16-8-6-15(21)7-9-16/h3-10H,11-12H2,1-2H3,(H,22,26).
What are the key properties of N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 398.85 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[5-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 122488051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).