4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile

C17H12N2O2 — CID 1484357

IUPAC4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile
SMILESCOc1ccnc(Oc2ccc3ccccc3c2)c1C#N
InChIInChI=1S/C17H12N2O2/c1-20-16-8-9-19-17(15(16)11-18)21-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,1H3
InChIKeyHDKIPAMZAQSHAT-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.91
Rot. Bonds3

About 4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile

4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile (PubChem CID 1484357) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile
PubChem CID1484357
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile
SMILESCOc1ccnc(Oc2ccc3ccccc3c2)c1C#N
InChIInChI=1S/C17H12N2O2/c1-20-16-8-9-19-17(15(16)11-18)21-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,1H3
InChIKeyHDKIPAMZAQSHAT-UHFFFAOYSA-N
XLogP3.91
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile (CID 1484357) is 4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile is COc1ccnc(Oc2ccc3ccccc3c2)c1C#N.
What is the InChIKey of 4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile?
The InChIKey is HDKIPAMZAQSHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-20-16-8-9-19-17(15(16)11-18)21-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,1H3.
What are the key properties of 4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile?
4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile has a molecular weight of 276.30 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 4-methoxy-2-naphthalen-2-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 1484357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).