N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide

C21H28N6O3 — CID 71807558

IUPACN-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c(C)c1
InChIInChI=1S/C21H28N6O3/c1-16-13-18(29-2)3-4-19(16)23-21(28)27-7-5-25(6-8-27)17-14-20(24-22-15-17)26-9-11-30-12-10-26/h3-4,13-15H,5-12H2,1-2H3,(H,23,28)
InChIKeyLTHUHPTUYSKGRI-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.98
Rot. Bonds4

About N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide

N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide (PubChem CID 71807558) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
PubChem CID71807558
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC NameN-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c(C)c1
InChIInChI=1S/C21H28N6O3/c1-16-13-18(29-2)3-4-19(16)23-21(28)27-7-5-25(6-8-27)17-14-20(24-22-15-17)26-9-11-30-12-10-26/h3-4,13-15H,5-12H2,1-2H3,(H,23,28)
InChIKeyLTHUHPTUYSKGRI-UHFFFAOYSA-N
XLogP1.98
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888
(E)-3-(4-methoxyphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 122355415
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
2-(4-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355625
(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968809
2-(4-methoxy-3-methylphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122355410
4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 51115408
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 91969033
N-(2,4-dimethoxyphenyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921278
(2,3-dimethoxyphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121137255
(2-methoxy-3-pyridinyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122355432

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide (CID 71807558) is N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide?
The InChIKey is LTHUHPTUYSKGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-16-13-18(29-2)3-4-19(16)23-21(28)27-7-5-25(6-8-27)17-14-20(24-22-15-17)26-9-11-30-12-10-26/h3-4,13-15H,5-12H2,1-2H3,(H,23,28).
What are the key properties of N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide?
N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71807558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).