N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C14H12F2N4O3 — CID 24687838

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)ccc1=O
InChIInChI=1S/C14H12F2N4O3/c1-20-13(22)5-4-11(19-20)14(23)17-7-12(21)18-8-2-3-9(15)10(16)6-8/h2-6H,7H2,1H3,(H,17,23)(H,18,21)
InChIKeyRGEDOBJHLLVFPC-UHFFFAOYSA-N
MW322.27 g/mol
LogP0.43
Rot. Bonds4

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 24687838) has the molecular formula C14H12F2N4O3 and a molecular weight of 322.27 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID24687838
Molecular FormulaC14H12F2N4O3
Molecular Weight322.27 g/mol
Exact Mass322.09
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)ccc1=O
InChIInChI=1S/C14H12F2N4O3/c1-20-13(22)5-4-11(19-20)14(23)17-7-12(21)18-8-2-3-9(15)10(16)6-8/h2-6H,7H2,1H3,(H,17,23)(H,18,21)
InChIKeyRGEDOBJHLLVFPC-UHFFFAOYSA-N
XLogP0.43
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 24687838) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)ccc1=O.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is RGEDOBJHLLVFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O3/c1-20-13(22)5-4-11(19-20)14(23)17-7-12(21)18-8-2-3-9(15)10(16)6-8/h2-6H,7H2,1H3,(H,17,23)(H,18,21).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 322.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 24687838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).