N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide

C20H26N6O2 — CID 91968888

IUPACN-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C20H26N6O2/c1-16-4-2-3-5-18(16)22-20(27)26-8-6-25(7-9-26)19-14-17(15-21-23-19)24-10-12-28-13-11-24/h2-5,14-15H,6-13H2,1H3,(H,22,27)
InChIKeyZBMZYBQCFMAZKA-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.98
Rot. Bonds3

About N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide

N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 91968888) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
PubChem CID91968888
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C20H26N6O2/c1-16-4-2-3-5-18(16)22-20(27)26-8-6-25(7-9-26)19-14-17(15-21-23-19)24-10-12-28-13-11-24/h2-5,14-15H,6-13H2,1H3,(H,22,27)
InChIKeyZBMZYBQCFMAZKA-UHFFFAOYSA-N
XLogP1.98
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 71807558
(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968809
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 47001484
4-(5-morpholin-4-ylpyridazin-3-yl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 71807542
N-[3-(difluoromethoxy)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 122355584
N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
CID 53189510
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 91969033
1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321473
1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355628
1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355684

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide (CID 91968888) is N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1.
What is the InChIKey of N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is ZBMZYBQCFMAZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-16-4-2-3-5-18(16)22-20(27)26-8-6-25(7-9-26)19-14-17(15-21-23-19)24-10-12-28-13-11-24/h2-5,14-15H,6-13H2,1H3,(H,22,27).
What are the key properties of N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide?
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 91968888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).