6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

C21H18N6O2 — CID 108744634

IUPAC6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)=NN1
InChIInChI=1S/C21H18N6O2/c28-20-11-10-17(26-27-20)21(29)25-16-8-6-15(7-9-16)24-19-12-18(22-13-23-19)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,25,29)(H,27,28)(H,22,23,24)
InChIKeyZKCPCLXYIOHWQL-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.09
Rot. Bonds5

About 6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 108744634) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID108744634
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)=NN1
InChIInChI=1S/C21H18N6O2/c28-20-11-10-17(26-27-20)21(29)25-16-8-6-15(7-9-16)24-19-12-18(22-13-23-19)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,25,29)(H,27,28)(H,22,23,24)
InChIKeyZKCPCLXYIOHWQL-UHFFFAOYSA-N
XLogP3.09
TPSA108.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108749311
2-bromo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108766928
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 46327430
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine
CID 16876814
N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60730194
6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide
CID 4845852
N-[4-(6-anilinopyrimidin-4-yl)phenyl]prop-2-enamide
CID 174978109
N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793132
2,2-dimethyl-4-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-3H-chromene-6-carboxamide
CID 108744668

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 108744634) is 6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)=NN1.
What is the InChIKey of 6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is ZKCPCLXYIOHWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c28-20-11-10-17(26-27-20)21(29)25-16-8-6-15(7-9-16)24-19-12-18(22-13-23-19)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,25,29)(H,27,28)(H,22,23,24).
What are the key properties of 6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108744634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).