N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide

C22H21FN4O — CID 167404166

IUPACN-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCC(Nc2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C22H21FN4O/c23-17-7-4-8-18(14-17)25-22(28)16-9-10-19(13-16)24-21-12-11-20(26-27-21)15-5-2-1-3-6-15/h1-8,11-12,14,16,19H,9-10,13H2,(H,24,27)(H,25,28)
InChIKeyMLAFENHIJOOFQJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.50
Rot. Bonds5

About N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide

N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide (PubChem CID 167404166) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide
PubChem CID167404166
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCC(Nc2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C22H21FN4O/c23-17-7-4-8-18(14-17)25-22(28)16-9-10-19(13-16)24-21-12-11-20(26-27-21)15-5-2-1-3-6-15/h1-8,11-12,14,16,19H,9-10,13H2,(H,24,27)(H,25,28)
InChIKeyMLAFENHIJOOFQJ-UHFFFAOYSA-N
XLogP4.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629868
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
N-[3-[6-[[(3S,3aS,5S,6aS)-3-(oxan-4-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]phenyl]cyclopropanecarboxamide
CID 165403937
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
2-N-cyclopropyl-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109130976
3-[(3-aminocyclopentanecarbonyl)amino]-N-(3-fluorophenyl)benzamide
CID 119740416
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-(3-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203099

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide (CID 167404166) is N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide is O=C(Nc1cccc(F)c1)C1CCC(Nc2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide?
The InChIKey is MLAFENHIJOOFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-17-7-4-8-18(14-17)25-22(28)16-9-10-19(13-16)24-21-12-11-20(26-27-21)15-5-2-1-3-6-15/h1-8,11-12,14,16,19H,9-10,13H2,(H,24,27)(H,25,28).
What are the key properties of N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide?
N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[(6-phenylpyridazin-3-yl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 167404166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).