N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide

C19H16F2N4O3 — CID 56758374

IUPACN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)c2ccc(=O)n(C)n2)c(F)c1F
InChIInChI=1S/C19H16F2N4O3/c1-11-5-7-14(17(21)16(11)20)28-19-12(4-3-9-22-19)10-23-18(27)13-6-8-15(26)25(2)24-13/h3-9H,10H2,1-2H3,(H,23,27)
InChIKeyVGNQXCIBWVCPII-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.48
Rot. Bonds5

About N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 56758374) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID56758374
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC NameN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)c2ccc(=O)n(C)n2)c(F)c1F
InChIInChI=1S/C19H16F2N4O3/c1-11-5-7-14(17(21)16(11)20)28-19-12(4-3-9-22-19)10-23-18(27)13-6-8-15(26)25(2)24-13/h3-9H,10H2,1-2H3,(H,23,27)
InChIKeyVGNQXCIBWVCPII-UHFFFAOYSA-N
XLogP2.48
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 56758374) is N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cc1ccc(Oc2ncccc2CNC(=O)c2ccc(=O)n(C)n2)c(F)c1F.
What is the InChIKey of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is VGNQXCIBWVCPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-11-5-7-14(17(21)16(11)20)28-19-12(4-3-9-22-19)10-23-18(27)13-6-8-15(26)25(2)24-13/h3-9H,10H2,1-2H3,(H,23,27).
What are the key properties of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 56758374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).