6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide

C16H18N4O3 — CID 37203450

IUPAC6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C16H18N4O3/c1-10(2)17-15(22)9-11-3-5-12(6-4-11)18-16(23)13-7-8-14(21)20-19-13/h3-8,10H,9H2,1-2H3,(H,17,22)(H,18,23)(H,20,21)
InChIKeyJZCVFJHCKVKRDK-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.09
Rot. Bonds5

About 6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide (PubChem CID 37203450) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide
PubChem CID37203450
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C16H18N4O3/c1-10(2)17-15(22)9-11-3-5-12(6-4-11)18-16(23)13-7-8-14(21)20-19-13/h3-8,10H,9H2,1-2H3,(H,17,22)(H,18,23)(H,20,21)
InChIKeyJZCVFJHCKVKRDK-UHFFFAOYSA-N
XLogP1.09
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
CID 30539711
N-[4-(2-bromoethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 114040990
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 7185957
N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 9415955
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47210931
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide
CID 43071048
2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301966
N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94198841

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide (CID 37203450) is 6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide is CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide?
The InChIKey is JZCVFJHCKVKRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10(2)17-15(22)9-11-3-5-12(6-4-11)18-16(23)13-7-8-14(21)20-19-13/h3-8,10H,9H2,1-2H3,(H,17,22)(H,18,23)(H,20,21).
What are the key properties of 6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 37203450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).