methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate

C14H14N2O2 — CID 54544468

IUPACmethyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(-c2ccnc(C)c2)cc1C
InChIInChI=1S/C14H14N2O2/c1-9-6-13(11-4-5-15-10(2)7-11)16-8-12(9)14(17)18-3/h4-8H,1-3H3
InChIKeyRQEGVJKIIKKVTK-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.55
Rot. Bonds2

About methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate

methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate (PubChem CID 54544468) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate
PubChem CID54544468
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(-c2ccnc(C)c2)cc1C
InChIInChI=1S/C14H14N2O2/c1-9-6-13(11-4-5-15-10(2)7-11)16-8-12(9)14(17)18-3/h4-8H,1-3H3
InChIKeyRQEGVJKIIKKVTK-UHFFFAOYSA-N
XLogP2.55
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methylpyridine-3-carboxylate
CID 10877301
5-ethyl-4-methyl-2-(2-methyl-4-pyridinyl)pyridine
CID 123346906
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
methyl 4-(5-bromopyrazin-2-yl)-2-methylbenzoate
CID 135375330
methyl 6-acetyl-4-methylpyridine-3-carboxylate
CID 178165335
methyl 6-cyclopropyl-4-methylpyridine-3-carboxylate
CID 172915603
methyl 4-iodo-6-methylpyridine-3-carboxylate
CID 166162841
methyl 6-(5-bromo-2-fluoro-3-pyridinyl)-4-methylpyridine-3-carboxylate
CID 154848544
methyl 3-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 106754119
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 74890548
5-(1-methoxyethenyl)-4-methyl-2-phenylpyridine
CID 177154031
2-methyl-5-(2-methyl-4-pyridinyl)benzamide
CID 68606460

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate (CID 54544468) is methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate is COC(=O)c1cnc(-c2ccnc(C)c2)cc1C.
What is the InChIKey of methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate?
The InChIKey is RQEGVJKIIKKVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-6-13(11-4-5-15-10(2)7-11)16-8-12(9)14(17)18-3/h4-8H,1-3H3.
What are the key properties of methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate?
methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(2-methyl-4-pyridinyl)pyridine-3-carboxylate is sourced from PubChem (CID 54544468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).