4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide

C16H20N4O3 — CID 127412838

IUPAC4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)C1
InChIInChI=1S/C16H20N4O3/c1-20-8-9-23-14(10-20)16(22)17-12-4-2-11(3-5-12)13-6-7-15(21)19-18-13/h2-5,14H,6-10H2,1H3,(H,17,22)(H,19,21)
InChIKeyBQZFTUKTOULGCP-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.57
Rot. Bonds3

About 4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide

4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide (PubChem CID 127412838) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide
PubChem CID127412838
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide
SMILESCN1CCOC(C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)C1
InChIInChI=1S/C16H20N4O3/c1-20-8-9-23-14(10-20)16(22)17-12-4-2-11(3-5-12)13-6-7-15(21)19-18-13/h2-5,14H,6-10H2,1H3,(H,17,22)(H,19,21)
InChIKeyBQZFTUKTOULGCP-UHFFFAOYSA-N
XLogP0.57
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
CID 97041956
2-acetamido-3-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 102554949
2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805018
N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide
CID 75470295
N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide
CID 71973219
N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyridine-2-carboxamide
CID 70375040
(8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100665801
(2S)-4-prop-2-enoyl-N-(4-pyridin-4-ylphenyl)morpholine-2-carboxamide
CID 172889899
N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 102559060
[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl] acetate
CID 70432835
4-methylmorpholine-2-carbohydrazide;dihydrochloride
CID 130652478

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide?
The IUPAC name of 4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide (CID 127412838) is 4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide is CN1CCOC(C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)C1.
What is the InChIKey of 4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide?
The InChIKey is BQZFTUKTOULGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-20-8-9-23-14(10-20)16(22)17-12-4-2-11(3-5-12)13-6-7-15(21)19-18-13/h2-5,14H,6-10H2,1H3,(H,17,22)(H,19,21).
What are the key properties of 4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide?
4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 127412838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).