6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C22H22FN5O2 — CID 67267688

IUPAC6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(=O)[nH]n2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C22H22FN5O2/c23-17-3-1-2-15(12-17)20-6-4-16(13-24-20)22(30)25-18-8-10-28(11-9-18)14-19-5-7-21(29)27-26-19/h1-7,12-13,18H,8-11,14H2,(H,25,30)(H,27,29)
InChIKeyDSNDXSFBWISTEB-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.37
Rot. Bonds5

About 6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67267688) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67267688
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(=O)[nH]n2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C22H22FN5O2/c23-17-3-1-2-15(12-17)20-6-4-16(13-24-20)22(30)25-18-8-10-28(11-9-18)14-19-5-7-21(29)27-26-19/h1-7,12-13,18H,8-11,14H2,(H,25,30)(H,27,29)
InChIKeyDSNDXSFBWISTEB-UHFFFAOYSA-N
XLogP2.37
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-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 6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67267688) is 6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccc(=O)[nH]n2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is DSNDXSFBWISTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-17-3-1-2-15(12-17)20-6-4-16(13-24-20)22(30)25-18-8-10-28(11-9-18)14-19-5-7-21(29)27-26-19/h1-7,12-13,18H,8-11,14H2,(H,25,30)(H,27,29).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[(6-oxo-1H-pyridazin-3-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67267688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).