N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

C23H22FN5O2 — CID 30866826

IUPACN-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C23H22FN5O2/c24-17-7-5-15(6-8-17)19-9-10-21(28-27-19)29-13-11-16(12-14-29)23(31)26-20-4-2-1-3-18(20)22(25)30/h1-10,16H,11-14H2,(H2,25,30)(H,26,31)
InChIKeyCQHHNQKAXOSZCM-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.24
Rot. Bonds5

About N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30866826) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30866826
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C23H22FN5O2/c24-17-7-5-15(6-8-17)19-9-10-21(28-27-19)29-13-11-16(12-14-29)23(31)26-20-4-2-1-3-18(20)22(25)30/h1-10,16H,11-14H2,(H2,25,30)(H,26,31)
InChIKeyCQHHNQKAXOSZCM-UHFFFAOYSA-N
XLogP3.24
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30866826) is N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is NC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is CQHHNQKAXOSZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c24-17-7-5-15(6-8-17)19-9-10-21(28-27-19)29-13-11-16(12-14-29)23(31)26-20-4-2-1-3-18(20)22(25)30/h1-10,16H,11-14H2,(H2,25,30)(H,26,31).
What are the key properties of N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30866826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).