N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide

C17H12F2N4O3 — CID 139522109

IUPACN-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Oc3cc(F)cc(F)c3)cn2)ccc1=O
InChIInChI=1S/C17H12F2N4O3/c1-23-16(24)5-3-14(22-23)17(25)21-15-4-2-12(9-20-15)26-13-7-10(18)6-11(19)8-13/h2-9H,1H3,(H,20,21,25)
InChIKeyICALYWVWTXDUNO-UHFFFAOYSA-N
MW358.30 g/mol
LogP2.50
Rot. Bonds4

About N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 139522109) has the molecular formula C17H12F2N4O3 and a molecular weight of 358.30 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID139522109
Molecular FormulaC17H12F2N4O3
Molecular Weight358.30 g/mol
Exact Mass358.09
IUPAC NameN-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Oc3cc(F)cc(F)c3)cn2)ccc1=O
InChIInChI=1S/C17H12F2N4O3/c1-23-16(24)5-3-14(22-23)17(25)21-15-4-2-12(9-20-15)26-13-7-10(18)6-11(19)8-13/h2-9H,1H3,(H,20,21,25)
InChIKeyICALYWVWTXDUNO-UHFFFAOYSA-N
XLogP2.50
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 139522109) is N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(Oc3cc(F)cc(F)c3)cn2)ccc1=O.
What is the InChIKey of N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ICALYWVWTXDUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3/c1-23-16(24)5-3-14(22-23)17(25)21-15-4-2-12(9-20-15)26-13-7-10(18)6-11(19)8-13/h2-9H,1H3,(H,20,21,25).
What are the key properties of N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 358.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139522109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).