1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide

C19H23FN4O3 — CID 8556511

IUPAC1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C19H23FN4O3/c1-22-10-8-14(9-11-22)23(2)19(26)18-16(27-3)12-17(25)24(21-18)15-6-4-13(20)5-7-15/h4-7,12,14H,8-11H2,1-3H3
InChIKeyOJEQTBWTUADMQC-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.55
Rot. Bonds4

About 1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide

1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 8556511) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide
PubChem CID8556511
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C19H23FN4O3/c1-22-10-8-14(9-11-22)23(2)19(26)18-16(27-3)12-17(25)24(21-18)15-6-4-13(20)5-7-15/h4-7,12,14H,8-11H2,1-3H3
InChIKeyOJEQTBWTUADMQC-UHFFFAOYSA-N
XLogP1.55
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide (CID 8556511) is 1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is OJEQTBWTUADMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-22-10-8-14(9-11-22)23(2)19(26)18-16(27-3)12-17(25)24(21-18)15-6-4-13(20)5-7-15/h4-7,12,14H,8-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide?
1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8556511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).