pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate

C19H16N2O2 — CID 46562340

IUPACpyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCc1nc(-c2ccccc2)ccc1C(=O)OCc1ccccn1
InChIInChI=1S/C19H16N2O2/c1-14-17(19(22)23-13-16-9-5-6-12-20-16)10-11-18(21-14)15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyFYJAKJRBAMPTNJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.81
Rot. Bonds4

About pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate

pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate (PubChem CID 46562340) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate
PubChem CID46562340
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Namepyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCc1nc(-c2ccccc2)ccc1C(=O)OCc1ccccn1
InChIInChI=1S/C19H16N2O2/c1-14-17(19(22)23-13-16-9-5-6-12-20-16)10-11-18(21-14)15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyFYJAKJRBAMPTNJ-UHFFFAOYSA-N
XLogP3.81
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 26988923
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463613
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648581
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648948
pyridin-2-ylmethyl 7-methoxy-2-methylquinoline-3-carboxylate
CID 18139891
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate
CID 43008926
6-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 171132589
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate (CID 46562340) is pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate is Cc1nc(-c2ccccc2)ccc1C(=O)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate?
The InChIKey is FYJAKJRBAMPTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14-17(19(22)23-13-16-9-5-6-12-20-16)10-11-18(21-14)15-7-3-2-4-8-15/h2-12H,13H2,1H3.
What are the key properties of pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate?
pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 46562340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).