methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate

C20H21N3O4 — CID 109081318

IUPACmethyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H21N3O4/c1-27-20(26)15-7-3-4-8-16(15)22-18(24)14-9-10-21-17(13-14)19(25)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,24)
InChIKeyGHHMPXNMLZNOOE-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.75
Rot. Bonds4

About methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate

methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109081318) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
PubChem CID109081318
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namemethyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H21N3O4/c1-27-20(26)15-7-3-4-8-16(15)22-18(24)14-9-10-21-17(13-14)19(25)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,24)
InChIKeyGHHMPXNMLZNOOE-UHFFFAOYSA-N
XLogP2.75
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]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

ethyl 2-[[2-(azepane-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109090798
N-(2-fluorophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081286
N-(2-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081328
methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089488
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033
N-(2,4-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081309
2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109090770
N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081308
2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109090766
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
methyl 4-[[4-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109090698
N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080395

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate (CID 109081318) is methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccnc(C(=O)N2CCCCC2)c1.
What is the InChIKey of methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is GHHMPXNMLZNOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-27-20(26)15-7-3-4-8-16(15)22-18(24)14-9-10-21-17(13-14)19(25)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,24).
What are the key properties of methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate?
methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 367.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109081318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).