N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

C22H29N5O2 — CID 50785853

IUPACN-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCCN(c3ccc(N4CCOCC4)nn3)C2)c1
InChIInChI=1S/C22H29N5O2/c1-17-4-2-5-18(14-17)15-23-22(28)19-6-3-9-27(16-19)21-8-7-20(24-25-21)26-10-12-29-13-11-26/h2,4-5,7-8,14,19H,3,6,9-13,15-16H2,1H3,(H,23,28)
InChIKeyMNBSGYCWGBAKJR-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.15
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 50785853) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID50785853
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCCN(c3ccc(N4CCOCC4)nn3)C2)c1
InChIInChI=1S/C22H29N5O2/c1-17-4-2-5-18(14-17)15-23-22(28)19-6-3-9-27(16-19)21-8-7-20(24-25-21)26-10-12-29-13-11-26/h2,4-5,7-8,14,19H,3,6,9-13,15-16H2,1H3,(H,23,28)
InChIKeyMNBSGYCWGBAKJR-UHFFFAOYSA-N
XLogP2.15
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-{6-[4-(3-Methylbenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine
CID 6622520
2-{[1-(6-Morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 3243074
4-{6-[4-(4-Methylbenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine
CID 7292471
(3,4-Dimethylphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292472
3-Morpholinone, 4-(2-((4-methyl-6-phenyl-3-pyridazinyl)amino)ethyl)-, monohydrochloride
CID 6410664
(4-(6-Morpholinopyridazin-3-yl)piperazin-1-yl)(phenyl)methanone
CID 7292469
US10138230, Example F162
CID 122445828
N-(4-Methyl-6-phenyl-3-pyridazinyl)-4-morpholinepropanamine
CID 213258
(1-(6-(4-Fluorophenyl)pyridazin-3-yl)piperidin-4-yl)(morpholino)methanone
CID 30866775
Ethyl 4-(1-(6-(4-fluorophenyl)pyridazin-3-yl)piperidine-3-carbonyl)piperazine-1-carboxylate
CID 44059797
1-(6-(4-fluorophenyl)pyridazin-3-yl)-N-morpholinopiperidine-3-carboxamide
CID 49675929
N-[(4-fluorophenyl)methyl]-1-[6-(piperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 50771874

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 50785853) is N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is Cc1cccc(CNC(=O)C2CCCN(c3ccc(N4CCOCC4)nn3)C2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is MNBSGYCWGBAKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-17-4-2-5-18(14-17)15-23-22(28)19-6-3-9-27(16-19)21-8-7-20(24-25-21)26-10-12-29-13-11-26/h2,4-5,7-8,14,19H,3,6,9-13,15-16H2,1H3,(H,23,28).
What are the key properties of N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50785853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).