4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile

C16H17N3O — CID 154644631

IUPAC4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccccn2)cc(C(C)(C)C)c1C#N
InChIInChI=1S/C16H17N3O/c1-16(2,3)12-9-14(13-7-5-6-8-18-13)19-15(20-4)11(12)10-17/h5-9H,1-4H3
InChIKeySNJXSQIITZGINI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.32
Rot. Bonds2

About 4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile

4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile (PubChem CID 154644631) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile
PubChem CID154644631
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccccn2)cc(C(C)(C)C)c1C#N
InChIInChI=1S/C16H17N3O/c1-16(2,3)12-9-14(13-7-5-6-8-18-13)19-15(20-4)11(12)10-17/h5-9H,1-4H3
InChIKeySNJXSQIITZGINI-UHFFFAOYSA-N
XLogP3.32
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile?
The IUPAC name of 4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile (CID 154644631) is 4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile is COc1nc(-c2ccccn2)cc(C(C)(C)C)c1C#N.
What is the InChIKey of 4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile?
The InChIKey is SNJXSQIITZGINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-16(2,3)12-9-14(13-7-5-6-8-18-13)19-15(20-4)11(12)10-17/h5-9H,1-4H3.
What are the key properties of 4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile?
4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methoxy-6-pyridin-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 154644631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).