2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone

C21H20ClN5O2 — CID 147586968

IUPAC2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone
SMILESO=C(Cc1ccncc1Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C21H20ClN5O2/c22-16-1-3-17(4-2-16)24-19-14-23-8-7-15(19)13-20(28)18-5-6-21(26-25-18)27-9-11-29-12-10-27/h1-8,14,24H,9-13H2
InChIKeyFXNLYSUOEYTEMP-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.53
Rot. Bonds6

About 2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone

2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone (PubChem CID 147586968) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone.

Molecular Properties

Compound Name2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone
PubChem CID147586968
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone
SMILESO=C(Cc1ccncc1Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C21H20ClN5O2/c22-16-1-3-17(4-2-16)24-19-14-23-8-7-15(19)13-20(28)18-5-6-21(26-25-18)27-9-11-29-12-10-27/h1-8,14,24H,9-13H2
InChIKeyFXNLYSUOEYTEMP-UHFFFAOYSA-N
XLogP3.53
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
N-[(2,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028270
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide
CID 90418050
N-(4-carbamoylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028121
N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114572
N-[(2-chlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 95986830
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114560
N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 135205758
N-(2,6-difluorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114612
N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide
CID 90418118
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone?
The IUPAC name of 2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone (CID 147586968) is 2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone.
What is the SMILES notation for 2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone?
The canonical SMILES for 2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone is O=C(Cc1ccncc1Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)nn1.
What is the InChIKey of 2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone?
The InChIKey is FXNLYSUOEYTEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c22-16-1-3-17(4-2-16)24-19-14-23-8-7-15(19)13-20(28)18-5-6-21(26-25-18)27-9-11-29-12-10-27/h1-8,14,24H,9-13H2.
What are the key properties of 2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone?
2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone has a molecular weight of 409.88 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone is sourced from PubChem (CID 147586968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).