N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide

C20H26N4O3 — CID 18117439

IUPACN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1=O
InChIInChI=1S/C20H26N4O3/c1-2-9-24-19(25)8-7-18(22-24)20(26)21-14-16-3-5-17(6-4-16)15-23-10-12-27-13-11-23/h3-8H,2,9-15H2,1H3,(H,21,26)
InChIKeyAGXCRSNIHARZGT-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.42
Rot. Bonds7

About N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 18117439) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID18117439
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1=O
InChIInChI=1S/C20H26N4O3/c1-2-9-24-19(25)8-7-18(22-24)20(26)21-14-16-3-5-17(6-4-16)15-23-10-12-27-13-11-23/h3-8H,2,9-15H2,1H3,(H,21,26)
InChIKeyAGXCRSNIHARZGT-UHFFFAOYSA-N
XLogP1.42
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 34242671
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
1-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 55728121
N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 30731594
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47838565
6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 30293285
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 43033641
N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 78956966
6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide
CID 46464028
1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide
CID 55381555
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55795168
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 18117439) is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1=O.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is AGXCRSNIHARZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-9-24-19(25)8-7-18(22-24)20(26)21-14-16-3-5-17(6-4-16)15-23-10-12-27-13-11-23/h3-8H,2,9-15H2,1H3,(H,21,26).
What are the key properties of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 18117439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).