N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide

C17H18N4O4 — CID 110671808

IUPACN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CN(C(=O)c2ccc(NC(=O)c3ccc(=O)[nH]n3)cc2)CCO1
InChIInChI=1S/C17H18N4O4/c1-11-10-21(8-9-25-11)17(24)12-2-4-13(5-3-12)18-16(23)14-6-7-15(22)20-19-14/h2-7,11H,8-10H2,1H3,(H,18,23)(H,20,22)
InChIKeyQPEPXGVYNBEQAN-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.88
Rot. Bonds3

About N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110671808) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110671808
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CN(C(=O)c2ccc(NC(=O)c3ccc(=O)[nH]n3)cc2)CCO1
InChIInChI=1S/C17H18N4O4/c1-11-10-21(8-9-25-11)17(24)12-2-4-13(5-3-12)18-16(23)14-6-7-15(22)20-19-14/h2-7,11H,8-10H2,1H3,(H,18,23)(H,20,22)
InChIKeyQPEPXGVYNBEQAN-UHFFFAOYSA-N
XLogP0.88
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352683
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 81208326
4-fluoro-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 46430432
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 5001175
3-(4-fluorophenyl)-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110620048
3-cyclopropyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110426734
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055363
(5-hydrazinyl-2-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 104642344
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide
CID 110352712

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110671808) is N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide is CC1CN(C(=O)c2ccc(NC(=O)c3ccc(=O)[nH]n3)cc2)CCO1.
What is the InChIKey of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is QPEPXGVYNBEQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-11-10-21(8-9-25-11)17(24)12-2-4-13(5-3-12)18-16(23)14-6-7-15(22)20-19-14/h2-7,11H,8-10H2,1H3,(H,18,23)(H,20,22).
What are the key properties of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110671808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).