(2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide

C21H22N4O4 — CID 97416124

IUPAC(2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCOc1ccc(-c2nn([C@@H](C)C(=O)Nc3cc(C)ccn3)c(=O)cc2OC)cc1
InChIInChI=1S/C21H22N4O4/c1-13-9-10-22-18(11-13)23-21(27)14(2)25-19(26)12-17(29-4)20(24-25)15-5-7-16(28-3)8-6-15/h5-12,14H,1-4H3,(H,22,23,27)/t14-/m0/s1
InChIKeyPYQMNBXPDQRARN-AWEZNQCLSA-N
MW394.43 g/mol
LogP2.83
Rot. Bonds6

About (2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide

(2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 97416124) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is (2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID97416124
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name(2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCOc1ccc(-c2nn([C@@H](C)C(=O)Nc3cc(C)ccn3)c(=O)cc2OC)cc1
InChIInChI=1S/C21H22N4O4/c1-13-9-10-22-18(11-13)23-21(27)14(2)25-19(26)12-17(29-4)20(24-25)15-5-7-16(28-3)8-6-15/h5-12,14H,1-4H3,(H,22,23,27)/t14-/m0/s1
InChIKeyPYQMNBXPDQRARN-AWEZNQCLSA-N
XLogP2.83
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 97416197
2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)propanamide
CID 71830722
N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 71830744
N-ethyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 71830715
N-[2-(diethylamino)ethyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 71830726
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 97416223
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
(2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 97416221
2-(4-methoxyphenyl)-3-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185870
2-(methylamino)-N-(4-methyl-2-pyridinyl)propanamide
CID 62639101
(2R)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 28623322
(2S)-N-(2,5-dimethoxyphenyl)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 28623167

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide (CID 97416124) is (2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide is COc1ccc(-c2nn([C@@H](C)C(=O)Nc3cc(C)ccn3)c(=O)cc2OC)cc1.
What is the InChIKey of (2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is PYQMNBXPDQRARN-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-9-10-22-18(11-13)23-21(27)14(2)25-19(26)12-17(29-4)20(24-25)15-5-7-16(28-3)8-6-15/h5-12,14H,1-4H3,(H,22,23,27)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide?
(2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 394.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 97416124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).