methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate

C23H19ClN2O4 — CID 69075404

IUPACmethyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)cc1-n1c(C)cc(OCc2ccccc2C#N)c(Cl)c1=O
InChIInChI=1S/C23H19ClN2O4/c1-14-8-9-18(23(28)29-3)19(10-14)26-15(2)11-20(21(24)22(26)27)30-13-17-7-5-4-6-16(17)12-25/h4-11H,13H2,1-3H3
InChIKeyKYYOECOVUAJXJV-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.35
Rot. Bonds5

About methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate

methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate (PubChem CID 69075404) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate
PubChem CID69075404
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Namemethyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)cc1-n1c(C)cc(OCc2ccccc2C#N)c(Cl)c1=O
InChIInChI=1S/C23H19ClN2O4/c1-14-8-9-18(23(28)29-3)19(10-14)26-15(2)11-20(21(24)22(26)27)30-13-17-7-5-4-6-16(17)12-25/h4-11H,13H2,1-3H3
InChIKeyKYYOECOVUAJXJV-UHFFFAOYSA-N
XLogP4.35
TPSA81.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate with MolForge

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Related Compounds

methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
CID 26676915
(2-cyanophenyl)methyl 2-amino-5-methylbenzoate
CID 60768737
2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide
CID 18089225
(2-cyanophenyl)methyl (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8588799
2-(bromomethyl)-5-fluorobenzonitrile;2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorobenzonitrile
CID 22050016
methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate
CID 82976395
3-chloro-4-[(2-cyanophenyl)methoxy]benzoic acid
CID 45286796
(2-cyanophenyl)methyl 2-methoxybenzoate
CID 2640366
methyl 1-[(2-cyanophenyl)methyl]-1,2,4-triazole-3-carboxylate
CID 78925124
methyl 2-[(5-chloro-2-cyanoanilino)methyl]benzoate
CID 43780521
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2-methylphenyl)pyridin-2-one
CID 141203440
2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzonitrile
CID 11430712

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate?
The IUPAC name of methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate (CID 69075404) is methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate.
What is the SMILES notation for methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate?
The canonical SMILES for methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate is COC(=O)c1ccc(C)cc1-n1c(C)cc(OCc2ccccc2C#N)c(Cl)c1=O.
What is the InChIKey of methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate?
The InChIKey is KYYOECOVUAJXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-14-8-9-18(23(28)29-3)19(10-14)26-15(2)11-20(21(24)22(26)27)30-13-17-7-5-4-6-16(17)12-25/h4-11H,13H2,1-3H3.
What are the key properties of methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate?
methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate has a molecular weight of 422.87 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-chloro-4-[(2-cyanophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate is sourced from PubChem (CID 69075404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).