N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

C21H17FN4O3 — CID 55631027

IUPACN-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H17FN4O3/c22-13-5-9-15(10-6-13)26-19(27)12-11-18(25-26)21(29)24-17-4-2-1-3-16(17)20(28)23-14-7-8-14/h1-6,9-12,14H,7-8H2,(H,23,28)(H,24,29)
InChIKeyQRNOYSIERAGYOG-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 55631027) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID55631027
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC NameN-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H17FN4O3/c22-13-5-9-15(10-6-13)26-19(27)12-11-18(25-26)21(29)24-17-4-2-1-3-16(17)20(28)23-14-7-8-14/h1-6,9-12,14H,7-8H2,(H,23,28)(H,24,29)
InChIKeyQRNOYSIERAGYOG-UHFFFAOYSA-N
XLogP2.52
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847
N-[2-(cyclopentylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 8933933
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide
CID 55634816
1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120597820
N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 136523539
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55807504
N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119613631
N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27675364
N-[2-(cyclopropylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 29353067
N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
CID 26905849
N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 55635204

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (CID 55631027) is N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is QRNOYSIERAGYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c22-13-5-9-15(10-6-13)26-19(27)12-11-18(25-26)21(29)24-17-4-2-1-3-16(17)20(28)23-14-7-8-14/h1-6,9-12,14H,7-8H2,(H,23,28)(H,24,29).
What are the key properties of N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55631027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).