2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide

C20H22Cl2N4O2 — CID 86964460

IUPAC2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCc1cccc(N2CCC(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C20H22Cl2N4O2/c1-13-3-2-4-18(24-13)26-9-7-15(8-10-26)25-19(27)12-23-20(28)16-6-5-14(21)11-17(16)22/h2-6,11,15H,7-10,12H2,1H3,(H,23,28)(H,25,27)
InChIKeyGLRLXSZZRLLQHI-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.21
Rot. Bonds5

About 2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 86964460) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
PubChem CID86964460
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCc1cccc(N2CCC(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C20H22Cl2N4O2/c1-13-3-2-4-18(24-13)26-9-7-15(8-10-26)25-19(27)12-23-20(28)16-6-5-14(21)11-17(16)22/h2-6,11,15H,7-10,12H2,1H3,(H,23,28)(H,25,27)
InChIKeyGLRLXSZZRLLQHI-UHFFFAOYSA-N
XLogP3.21
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 51165988
2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide
CID 99785550
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 42848150
1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 86964132
2,4-dichloro-N-[2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108768442
2,4-dichloro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 70703179
[2-(cyclohexylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843884
1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 111506440
2,4-dichloro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 24637845
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide (CID 86964460) is 2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide is Cc1cccc(N2CCC(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)n1.
What is the InChIKey of 2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is GLRLXSZZRLLQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O2/c1-13-3-2-4-18(24-13)26-9-7-15(8-10-26)25-19(27)12-23-20(28)16-6-5-14(21)11-17(16)22/h2-6,11,15H,7-10,12H2,1H3,(H,23,28)(H,25,27).
What are the key properties of 2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 421.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86964460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).