N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide

C26H25F2N5O2 — CID 90011800

IUPACN-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
SMILESO=C(c1ccc(F)cc1F)N1CCC(c2ccc(N(C(=O)C3CNC3)c3cccnn3)cc2)CC1
InChIInChI=1S/C26H25F2N5O2/c27-20-5-8-22(23(28)14-20)26(35)32-12-9-18(10-13-32)17-3-6-21(7-4-17)33(24-2-1-11-30-31-24)25(34)19-15-29-16-19/h1-8,11,14,18-19,29H,9-10,12-13,15-16H2
InChIKeyLPMVWOMMPHCVPC-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.66
Rot. Bonds5

About N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide

N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide (PubChem CID 90011800) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
PubChem CID90011800
Molecular FormulaC26H25F2N5O2
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC NameN-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
SMILESO=C(c1ccc(F)cc1F)N1CCC(c2ccc(N(C(=O)C3CNC3)c3cccnn3)cc2)CC1
InChIInChI=1S/C26H25F2N5O2/c27-20-5-8-22(23(28)14-20)26(35)32-12-9-18(10-13-32)17-3-6-21(7-4-17)33(24-2-1-11-30-31-24)25(34)19-15-29-16-19/h1-8,11,14,18-19,29H,9-10,12-13,15-16H2
InChIKeyLPMVWOMMPHCVPC-UHFFFAOYSA-N
XLogP3.66
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[4-(4-pyridazin-3-ylpiperazine-1-carbonyl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509642
N-[4-(4-pyridazin-3-ylpiperazine-1-carbonyl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509700
1-[(5-{[(3-fluorophenyl)carbonyl]amino}-1-phenyl-1H-pyrazol-4-yl)carbonyl]piperidine-4-carboxamide
CID 5201116
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
CID 50778640
2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 7593405
N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866818
N-(2-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866826
N-(4-carbamoylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 44059784
6-[(4-fluorophenyl)methyl-methylamino]-N-phenylpyridazine-4-carboxamide
CID 137654734
N-(4-carbamoylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30866591
1-({5-[(2-Fluorophenyl)carbonylamino]-1-phenylpyrazol-4-yl}carbonyl)piperidine-4-carboxamide
CID 1267979
N-[4-(4-benzylpiperidine-1-carbonyl)-2-phenylpyrazol-3-yl]-2-fluorobenzamide
CID 2882576

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
The IUPAC name of N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide (CID 90011800) is N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
The canonical SMILES for N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide is O=C(c1ccc(F)cc1F)N1CCC(c2ccc(N(C(=O)C3CNC3)c3cccnn3)cc2)CC1.
What is the InChIKey of N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
The InChIKey is LPMVWOMMPHCVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c27-20-5-8-22(23(28)14-20)26(35)32-12-9-18(10-13-32)17-3-6-21(7-4-17)33(24-2-1-11-30-31-24)25(34)19-15-29-16-19/h1-8,11,14,18-19,29H,9-10,12-13,15-16H2.
What are the key properties of N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide?
N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide is sourced from PubChem (CID 90011800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).