4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide

C20H18F2N6O — CID 70877834

IUPAC4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(c2ccnc(-c3cccc(F)c3F)n2)CC1
InChIInChI=1S/C20H18F2N6O/c21-15-4-1-3-14(18(15)22)19-23-10-6-16(25-19)13-7-11-28(12-8-13)20(29)26-17-5-2-9-24-27-17/h1-6,9-10,13H,7-8,11-12H2,(H,26,27,29)
InChIKeyAPUAPWMOYJTLOU-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.62
Rot. Bonds3

About 4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide

4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide (PubChem CID 70877834) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is 4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide
PubChem CID70877834
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(c2ccnc(-c3cccc(F)c3F)n2)CC1
InChIInChI=1S/C20H18F2N6O/c21-15-4-1-3-14(18(15)22)19-23-10-6-16(25-19)13-7-11-28(12-8-13)20(29)26-17-5-2-9-24-27-17/h1-6,9-10,13H,7-8,11-12H2,(H,26,27,29)
InChIKeyAPUAPWMOYJTLOU-UHFFFAOYSA-N
XLogP3.62
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-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 4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide (CID 70877834) is 4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide is O=C(Nc1cccnn1)N1CCC(c2ccnc(-c3cccc(F)c3F)n2)CC1.
What is the InChIKey of 4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide?
The InChIKey is APUAPWMOYJTLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c21-15-4-1-3-14(18(15)22)19-23-10-6-16(25-19)13-7-11-28(12-8-13)20(29)26-17-5-2-9-24-27-17/h1-6,9-10,13H,7-8,11-12H2,(H,26,27,29).
What are the key properties of 4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide?
4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 70877834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).