methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate

C19H20ClN3O4 — CID 140894304

IUPACmethyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(Cl)c2)nc1
InChIInChI=1S/C19H20ClN3O4/c1-26-18(24)14-5-6-16(21-12-14)13-23(17-4-2-3-15(20)11-17)19(25)22-7-9-27-10-8-22/h2-6,11-12H,7-10,13H2,1H3
InChIKeyLMKASWJNAIRWEM-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.98
Rot. Bonds4

About methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate

methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate (PubChem CID 140894304) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate
PubChem CID140894304
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Namemethyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(Cl)c2)nc1
InChIInChI=1S/C19H20ClN3O4/c1-26-18(24)14-5-6-16(21-12-14)13-23(17-4-2-3-15(20)11-17)19(25)22-7-9-27-10-8-22/h2-6,11-12H,7-10,13H2,1H3
InChIKeyLMKASWJNAIRWEM-UHFFFAOYSA-N
XLogP2.98
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate (CID 140894304) is methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(Cl)c2)nc1.
What is the InChIKey of methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate?
The InChIKey is LMKASWJNAIRWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-26-18(24)14-5-6-16(21-12-14)13-23(17-4-2-3-15(20)11-17)19(25)22-7-9-27-10-8-22/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate?
methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate has a molecular weight of 389.84 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-chloro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 140894304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).