N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C18H24N4O3 — CID 31660346

IUPACN,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C18H24N4O3/c1-20(18(24)16-7-8-17(23)21(2)19-16)13-14-3-5-15(6-4-14)22-9-11-25-12-10-22/h3-6H,7-13H2,1-2H3
InChIKeyYHCQARZVIFCKJA-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.09
Rot. Bonds4

About N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 31660346) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID31660346
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C18H24N4O3/c1-20(18(24)16-7-8-17(23)21(2)19-16)13-14-3-5-15(6-4-14)22-9-11-25-12-10-22/h3-6H,7-13H2,1-2H3
InChIKeyYHCQARZVIFCKJA-UHFFFAOYSA-N
XLogP1.09
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38304018
N-[(3-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51262026
N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53498773
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134013173
N,1-bis[(4-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55771101
3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 38949614
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 55826912
N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide
CID 24532594
4-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24551846
N-[(5-bromo-2-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31152937
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036565

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 31660346) is N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is YHCQARZVIFCKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-20(18(24)16-7-8-17(23)21(2)19-16)13-14-3-5-15(6-4-14)22-9-11-25-12-10-22/h3-6H,7-13H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 31660346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).