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

C22H22FN3O4 — CID 97416223

IUPAC(2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCOc1ccc(-c2nn([C@@H](C)C(=O)NCc3ccccc3F)c(=O)cc2OC)cc1
InChIInChI=1S/C22H22FN3O4/c1-14(22(28)24-13-16-6-4-5-7-18(16)23)26-20(27)12-19(30-3)21(25-26)15-8-10-17(29-2)11-9-15/h4-12,14H,13H2,1-3H3,(H,24,28)/t14-/m0/s1
InChIKeyVNMAAOCUIQWFKS-AWEZNQCLSA-N
MW411.43 g/mol
LogP2.94
Rot. Bonds7

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

(2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 97416223) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is (2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID97416223
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name(2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCOc1ccc(-c2nn([C@@H](C)C(=O)NCc3ccccc3F)c(=O)cc2OC)cc1
InChIInChI=1S/C22H22FN3O4/c1-14(22(28)24-13-16-6-4-5-7-18(16)23)26-20(27)12-19(30-3)21(25-26)15-8-10-17(29-2)11-9-15/h4-12,14H,13H2,1-3H3,(H,24,28)/t14-/m0/s1
InChIKeyVNMAAOCUIQWFKS-AWEZNQCLSA-N
XLogP2.94
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 71830715
(2R)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 97416197
N-cyclopropyl-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 71830744
(2S)-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 97416124
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 122246447
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963589
N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757461
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 9477708
4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
CID 71830821
(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109020684

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of (2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide (CID 97416223) is (2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide is COc1ccc(-c2nn([C@@H](C)C(=O)NCc3ccccc3F)c(=O)cc2OC)cc1.
What is the InChIKey of (2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is VNMAAOCUIQWFKS-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-14(22(28)24-13-16-6-4-5-7-18(16)23)26-20(27)12-19(30-3)21(25-26)15-8-10-17(29-2)11-9-15/h4-12,14H,13H2,1-3H3,(H,24,28)/t14-/m0/s1.
What are the key properties of (2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 411.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-fluorophenyl)methyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 97416223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).