methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate

C19H17NO2 — CID 164623496

IUPACmethyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate
SMILESCOC(=O)CCc1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO2/c1-22-19(21)9-8-15-10-11-20-13-18(15)17-7-6-14-4-2-3-5-16(14)12-17/h2-7,10-13H,8-9H2,1H3
InChIKeyYPLUVQWSWZSYOR-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.01
Rot. Bonds4

About methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate

methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate (PubChem CID 164623496) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate
PubChem CID164623496
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Namemethyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate
SMILESCOC(=O)CCc1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO2/c1-22-19(21)9-8-15-10-11-20-13-18(15)17-7-6-14-4-2-3-5-16(14)12-17/h2-7,10-13H,8-9H2,1H3
InChIKeyYPLUVQWSWZSYOR-UHFFFAOYSA-N
XLogP4.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate?
The IUPAC name of methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate (CID 164623496) is methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate.
What is the SMILES notation for methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate?
The canonical SMILES for methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate is COC(=O)CCc1ccncc1-c1ccc2ccccc2c1.
What is the InChIKey of methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate?
The InChIKey is YPLUVQWSWZSYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-22-19(21)9-8-15-10-11-20-13-18(15)17-7-6-14-4-2-3-5-16(14)12-17/h2-7,10-13H,8-9H2,1H3.
What are the key properties of methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate?
methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate has a molecular weight of 291.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate is sourced from PubChem (CID 164623496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).