N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide

C22H23N5O2 — CID 109127275

IUPACN-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(Nc2ccccc2N2CCOCC2)nn1)c1ccccc1
InChIInChI=1S/C22H23N5O2/c1-26(17-7-3-2-4-8-17)22(28)19-11-12-21(25-24-19)23-18-9-5-6-10-20(18)27-13-15-29-16-14-27/h2-12H,13-16H2,1H3,(H,23,25)
InChIKeyLRCIMQDPIMGZOT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.33
Rot. Bonds5

About N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide

N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide (PubChem CID 109127275) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide
PubChem CID109127275
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(Nc2ccccc2N2CCOCC2)nn1)c1ccccc1
InChIInChI=1S/C22H23N5O2/c1-26(17-7-3-2-4-8-17)22(28)19-11-12-21(25-24-19)23-18-9-5-6-10-20(18)27-13-15-29-16-14-27/h2-12H,13-16H2,1H3,(H,23,25)
InChIKeyLRCIMQDPIMGZOT-UHFFFAOYSA-N
XLogP3.33
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-(2-morpholin-4-ylanilino)-N-phenylpyridine-2-carboxamide
CID 109197615
6-(2-morpholin-4-ylanilino)-N-propylpyridazine-3-carboxamide
CID 109109357
6-(2-bromoanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127277
6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109126611
N-cyclopentyl-6-(2-morpholin-4-ylanilino)pyridazine-3-carboxamide
CID 109112411
2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide
CID 113049816
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-phenyloxamide
CID 108520938
6-(N-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109127197
ethyl 2-[[6-[methyl(phenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127291
6-(4-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109128495
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127280
1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea
CID 113049830

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide (CID 109127275) is N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide is CN(C(=O)c1ccc(Nc2ccccc2N2CCOCC2)nn1)c1ccccc1.
What is the InChIKey of N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide?
The InChIKey is LRCIMQDPIMGZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-26(17-7-3-2-4-8-17)22(28)19-11-12-21(25-24-19)23-18-9-5-6-10-20(18)27-13-15-29-16-14-27/h2-12H,13-16H2,1H3,(H,23,25).
What are the key properties of N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide?
N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109127275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).