N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C22H20N4O3 — CID 9206792

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)nn1-c1ccccc1
InChIInChI=1S/C22H20N4O3/c1-14-12-19(27)20(25-26(14)18-8-3-2-4-9-18)22(29)24-17-7-5-6-15(13-17)21(28)23-16-10-11-16/h2-9,12-13,16H,10-11H2,1H3,(H,23,28)(H,24,29)
InChIKeyFSRPTTPPFUXNSC-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.69
Rot. Bonds5

About N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 9206792) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID9206792
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)nn1-c1ccccc1
InChIInChI=1S/C22H20N4O3/c1-14-12-19(27)20(25-26(14)18-8-3-2-4-9-18)22(29)24-17-7-5-6-15(13-17)21(28)23-16-10-11-16/h2-9,12-13,16H,10-11H2,1H3,(H,23,28)(H,24,29)
InChIKeyFSRPTTPPFUXNSC-UHFFFAOYSA-N
XLogP2.69
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 9206792) is N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)nn1-c1ccccc1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is FSRPTTPPFUXNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-12-19(27)20(25-26(14)18-8-3-2-4-9-18)22(29)24-17-7-5-6-15(13-17)21(28)23-16-10-11-16/h2-9,12-13,16H,10-11H2,1H3,(H,23,28)(H,24,29).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 9206792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).