methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate

C17H19NO3 — CID 66904990

IUPACmethyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate
SMILESCCCc1nc(C(=O)OC)ccc1OCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-3-7-14-16(11-10-15(18-14)17(19)20-2)21-12-13-8-5-4-6-9-13/h4-6,8-11H,3,7,12H2,1-2H3
InChIKeySXDAOKBZNOKCJU-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.40
Rot. Bonds6

About methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate

methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate (PubChem CID 66904990) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate
PubChem CID66904990
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate
SMILESCCCc1nc(C(=O)OC)ccc1OCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-3-7-14-16(11-10-15(18-14)17(19)20-2)21-12-13-8-5-4-6-9-13/h4-6,8-11H,3,7,12H2,1-2H3
InChIKeySXDAOKBZNOKCJU-UHFFFAOYSA-N
XLogP3.40
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate?
The IUPAC name of methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate (CID 66904990) is methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate is CCCc1nc(C(=O)OC)ccc1OCc1ccccc1.
What is the InChIKey of methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate?
The InChIKey is SXDAOKBZNOKCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-7-14-16(11-10-15(18-14)17(19)20-2)21-12-13-8-5-4-6-9-13/h4-6,8-11H,3,7,12H2,1-2H3.
What are the key properties of methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate?
methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenylmethoxy-6-propylpyridine-2-carboxylate is sourced from PubChem (CID 66904990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).