2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide

C19H21Cl2N5O2 — CID 86905185

IUPAC2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCN(c1cccnn1)C1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H21Cl2N5O2/c1-25(17-3-2-8-23-24-17)14-6-9-26(10-7-14)18(27)12-22-19(28)15-5-4-13(20)11-16(15)21/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,22,28)
InChIKeyPJJZYWXBMKXWTB-UHFFFAOYSA-N
MW422.32 g/mol
LogP2.64
Rot. Bonds5

About 2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 86905185) has the molecular formula C19H21Cl2N5O2 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID86905185
Molecular FormulaC19H21Cl2N5O2
Molecular Weight422.32 g/mol
Exact Mass421.11
IUPAC Name2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCN(c1cccnn1)C1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H21Cl2N5O2/c1-25(17-3-2-8-23-24-17)14-6-9-26(10-7-14)18(27)12-22-19(28)15-5-4-13(20)11-16(15)21/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,22,28)
InChIKeyPJJZYWXBMKXWTB-UHFFFAOYSA-N
XLogP2.64
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 46472867
2,4-dichloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 59764745
2,4-dichloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide
CID 9226177
2,4-dichloro-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 2395344
2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697
2,4-dichloro-N-[2-[[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55655097
2,4-dichloro-N-[2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 86916953
2,4-dichloro-N-[2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 41337381
5-chloro-2-[[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 167927928
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 51165988
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270751

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide (CID 86905185) is 2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide is CN(c1cccnn1)C1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is PJJZYWXBMKXWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O2/c1-25(17-3-2-8-23-24-17)14-6-9-26(10-7-14)18(27)12-22-19(28)15-5-4-13(20)11-16(15)21/h2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,22,28).
What are the key properties of 2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 422.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 86905185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).