methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate

C20H22ClN3O3 — CID 109183373

IUPACmethyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(Nc2ccc(C(=O)N3CCC(C)CC3)nc2)c1
InChIInChI=1S/C20H22ClN3O3/c1-13-7-9-24(10-8-13)19(25)17-6-4-15(12-22-17)23-18-11-14(20(26)27-2)3-5-16(18)21/h3-6,11-13,23H,7-10H2,1-2H3
InChIKeyNHJNCSSUMZLMLC-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.14
Rot. Bonds4

About methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate

methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate (PubChem CID 109183373) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate
PubChem CID109183373
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Namemethyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(Nc2ccc(C(=O)N3CCC(C)CC3)nc2)c1
InChIInChI=1S/C20H22ClN3O3/c1-13-7-9-24(10-8-13)19(25)17-6-4-15(12-22-17)23-18-11-14(20(26)27-2)3-5-16(18)21/h3-6,11-13,23H,7-10H2,1-2H3
InChIKeyNHJNCSSUMZLMLC-UHFFFAOYSA-N
XLogP4.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate 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

[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183401
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348
methyl 4-chloro-3-[[6-(diethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109194670
2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109183409
[5-(2-ethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183327
(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109183358
1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109183366
methyl 4-chloro-3-[[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109112030
methyl 3-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]-4-chlorobenzoate
CID 109241274
[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183238
methyl 4-chloro-3-[[4-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112885194
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183416

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate (CID 109183373) is methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate is COC(=O)c1ccc(Cl)c(Nc2ccc(C(=O)N3CCC(C)CC3)nc2)c1.
What is the InChIKey of methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate?
The InChIKey is NHJNCSSUMZLMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13-7-9-24(10-8-13)19(25)17-6-4-15(12-22-17)23-18-11-14(20(26)27-2)3-5-16(18)21/h3-6,11-13,23H,7-10H2,1-2H3.
What are the key properties of methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate?
methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate has a molecular weight of 387.87 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109183373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).