N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide

C21H28N4O3 — CID 43033641

IUPACN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(CN2CCOCC2)c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C21H28N4O3/c1-3-10-25-20(26)9-8-18(23-25)21(27)22-19(15-24-11-13-28-14-12-24)17-6-4-16(2)5-7-17/h4-9,19H,3,10-15H2,1-2H3,(H,22,27)
InChIKeyVFQGOEWGAFUBDA-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.77
Rot. Bonds7

About N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 43033641) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID43033641
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(CN2CCOCC2)c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C21H28N4O3/c1-3-10-25-20(26)9-8-18(23-25)21(27)22-19(15-24-11-13-28-14-12-24)17-6-4-16(2)5-7-17/h4-9,19H,3,10-15H2,1-2H3,(H,22,27)
InChIKeyVFQGOEWGAFUBDA-UHFFFAOYSA-N
XLogP1.77
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 4060999
3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 971523
N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3237431
2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 3241030
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-(1-phenylethyl)acetamide
CID 5070821
N-(4-ethylbenzyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099137
(E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 44535363
2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 1267789
2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-[2-(morpholin-4-yl)ethyl]acetamide
CID 661948
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3236030
3-[3-(4-Methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[3-(morpholin-4-YL)propyl]propanamide
CID 16001611
3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-N-[2-(2-methyl-1-piperidinyl)ethyl]propanamide
CID 3235868

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 43033641) is N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC(CN2CCOCC2)c2ccc(C)cc2)ccc1=O.
What is the InChIKey of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is VFQGOEWGAFUBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-3-10-25-20(26)9-8-18(23-25)21(27)22-19(15-24-11-13-28-14-12-24)17-6-4-16(2)5-7-17/h4-9,19H,3,10-15H2,1-2H3,(H,22,27).
What are the key properties of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 43033641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).