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

C20H18N4O3 — CID 32637086

IUPACN-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cccc(C(N)=O)c2)nn1-c1ccccc1
InChIInChI=1S/C20H18N4O3/c1-13-10-17(25)18(23-24(13)16-8-3-2-4-9-16)20(27)22-12-14-6-5-7-15(11-14)19(21)26/h2-11H,12H2,1H3,(H2,21,26)(H,22,27)
InChIKeyJVRQBECFVNEJGO-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.57
Rot. Bonds5

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

N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 32637086) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID32637086
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cccc(C(N)=O)c2)nn1-c1ccccc1
InChIInChI=1S/C20H18N4O3/c1-13-10-17(25)18(23-24(13)16-8-3-2-4-9-16)20(27)22-12-14-6-5-7-15(11-14)19(21)26/h2-11H,12H2,1H3,(H2,21,26)(H,22,27)
InChIKeyJVRQBECFVNEJGO-UHFFFAOYSA-N
XLogP1.57
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 32636927
N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 32637022
6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 55846918
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55797410
N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 31218833
N-(3-aminopropyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide;hydrochloride
CID 119406647
1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11543623
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86968285
N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 9086701
N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 111115964
6-methyl-4-oxo-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 9143796

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 32637086) is N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2cccc(C(N)=O)c2)nn1-c1ccccc1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is JVRQBECFVNEJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-10-17(25)18(23-24(13)16-8-3-2-4-9-16)20(27)22-12-14-6-5-7-15(11-14)19(21)26/h2-11H,12H2,1H3,(H2,21,26)(H,22,27).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 32637086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).