N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C20H17FN4O3 — CID 32637022

IUPACN-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cccc(C(N)=O)c2)nn1-c1ccccc1F
InChIInChI=1S/C20H17FN4O3/c1-12-9-17(26)18(24-25(12)16-8-3-2-7-15(16)21)20(28)23-11-13-5-4-6-14(10-13)19(22)27/h2-10H,11H2,1H3,(H2,22,27)(H,23,28)
InChIKeyVBUQXQJPFYBRTB-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.71
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 32637022) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID32637022
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC NameN-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cccc(C(N)=O)c2)nn1-c1ccccc1F
InChIInChI=1S/C20H17FN4O3/c1-12-9-17(26)18(24-25(12)16-8-3-2-7-15(16)21)20(28)23-11-13-5-4-6-14(10-13)19(22)27/h2-10H,11H2,1H3,(H2,22,27)(H,23,28)
InChIKeyVBUQXQJPFYBRTB-UHFFFAOYSA-N
XLogP1.71
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 32637022) is N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2cccc(C(N)=O)c2)nn1-c1ccccc1F.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is VBUQXQJPFYBRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-12-9-17(26)18(24-25(12)16-8-3-2-7-15(16)21)20(28)23-11-13-5-4-6-14(10-13)19(22)27/h2-10H,11H2,1H3,(H2,22,27)(H,23,28).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 32637022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).