methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate

C19H20ClN3O4 — CID 51116489

IUPACmethyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(Cl)c(NC(=O)N2CCCC2c2ccncc2)cc1OC
InChIInChI=1S/C19H20ClN3O4/c1-26-17-11-15(14(20)10-13(17)18(24)27-2)22-19(25)23-9-3-4-16(23)12-5-7-21-8-6-12/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,22,25)
InChIKeyOJPWVTCXRHRWPK-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.90
Rot. Bonds4

About methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate

methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate (PubChem CID 51116489) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
PubChem CID51116489
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Namemethyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(Cl)c(NC(=O)N2CCCC2c2ccncc2)cc1OC
InChIInChI=1S/C19H20ClN3O4/c1-26-17-11-15(14(20)10-13(17)18(24)27-2)22-19(25)23-9-3-4-16(23)12-5-7-21-8-6-12/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,22,25)
InChIKeyOJPWVTCXRHRWPK-UHFFFAOYSA-N
XLogP3.90
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate with MolForge

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Related Compounds

methyl 4-fluoro-3-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 86994028
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855965
methyl 5-chloro-2-methoxy-4-[(3-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]benzoate
CID 47050002
(2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 97063433
(2R)-N-(2,5-diethylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 124731980
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 124617297
ethyl (3R)-1-[(2-chloro-5-methoxy-4-methoxycarbonylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94166149
N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87010188
(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate?
The IUPAC name of methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate (CID 51116489) is methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate is COC(=O)c1cc(Cl)c(NC(=O)N2CCCC2c2ccncc2)cc1OC.
What is the InChIKey of methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate?
The InChIKey is OJPWVTCXRHRWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-26-17-11-15(14(20)10-13(17)18(24)27-2)22-19(25)23-9-3-4-16(23)12-5-7-21-8-6-12/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,22,25).
What are the key properties of methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate?
methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate has a molecular weight of 389.84 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate is sourced from PubChem (CID 51116489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).