methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate

C19H16N2O2 — CID 15896708

IUPACmethyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)c(-c2ccccc2)nc1C
InChIInChI=1S/C19H16N2O2/c1-13-15(19(22)23-2)12-16(17-10-6-7-11-20-17)18(21-13)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyXGXUUYYTYQNHIV-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.91
Rot. Bonds3

About methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate

methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate (PubChem CID 15896708) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate
PubChem CID15896708
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Namemethyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)c(-c2ccccc2)nc1C
InChIInChI=1S/C19H16N2O2/c1-13-15(19(22)23-2)12-16(17-10-6-7-11-20-17)18(21-13)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyXGXUUYYTYQNHIV-UHFFFAOYSA-N
XLogP3.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl Nicotinate
CID 7191
Methyl quinoline-6-carboxylate
CID 736812
Quinoline-3-carboxylic acid
CID 80971
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
Myristyl Nicotinate
CID 531641
Ethyl 8-methyl-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 1568488
Octyl nicotinate
CID 96462
Ethyl 4-(pyridine-3-carbonylamino)benzoate
CID 279888
Hepronicate
CID 3588
6-Phenylnicotinic acid
CID 120118
Methyl isoquinoline-5-carboxylate
CID 313259

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate (CID 15896708) is methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate is COC(=O)c1cc(-c2ccccn2)c(-c2ccccc2)nc1C.
What is the InChIKey of methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate?
The InChIKey is XGXUUYYTYQNHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-15(19(22)23-2)12-16(17-10-6-7-11-20-17)18(21-13)14-8-4-3-5-9-14/h3-12H,1-2H3.
What are the key properties of methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate?
methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-phenyl-5-pyridin-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 15896708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).