6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide

C21H27N5O2 — CID 133313984

IUPAC6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESCC1CN(C2CCN(c3ccc(C(=O)Nc4ccccc4)nn3)CC2)CCO1
InChIInChI=1S/C21H27N5O2/c1-16-15-26(13-14-28-16)18-9-11-25(12-10-18)20-8-7-19(23-24-20)21(27)22-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3,(H,22,27)
InChIKeyFTSHYBJSGLJDIS-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.42
Rot. Bonds4

About 6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide

6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide (PubChem CID 133313984) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
PubChem CID133313984
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESCC1CN(C2CCN(c3ccc(C(=O)Nc4ccccc4)nn3)CC2)CCO1
InChIInChI=1S/C21H27N5O2/c1-16-15-26(13-14-28-16)18-9-11-25(12-10-18)20-8-7-19(23-24-20)21(27)22-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3,(H,22,27)
InChIKeyFTSHYBJSGLJDIS-UHFFFAOYSA-N
XLogP2.42
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 136540496
6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133497494
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214
(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine
CID 95580708
6-[4-(1H-indol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313623
6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313221
6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313359
4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine
CID 133271900
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313205

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide (CID 133313984) is 6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide is CC1CN(C2CCN(c3ccc(C(=O)Nc4ccccc4)nn3)CC2)CCO1.
What is the InChIKey of 6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
The InChIKey is FTSHYBJSGLJDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-15-26(13-14-28-16)18-9-11-25(12-10-18)20-8-7-19(23-24-20)21(27)22-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3,(H,22,27).
What are the key properties of 6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).