4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile

C14H13N3O — CID 175574748

IUPAC4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile
SMILESCOc1cncc(-c2cc(C)nc(C#N)c2)c1C
InChIInChI=1S/C14H13N3O/c1-9-4-11(5-12(6-15)17-9)13-7-16-8-14(18-3)10(13)2/h4-5,7-8H,1-3H3
InChIKeyJSKXKKQFJSQZFU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.64
Rot. Bonds2

About 4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile

4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile (PubChem CID 175574748) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile
PubChem CID175574748
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile
SMILESCOc1cncc(-c2cc(C)nc(C#N)c2)c1C
InChIInChI=1S/C14H13N3O/c1-9-4-11(5-12(6-15)17-9)13-7-16-8-14(18-3)10(13)2/h4-5,7-8H,1-3H3
InChIKeyJSKXKKQFJSQZFU-UHFFFAOYSA-N
XLogP2.64
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile?
The IUPAC name of 4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile (CID 175574748) is 4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile is COc1cncc(-c2cc(C)nc(C#N)c2)c1C.
What is the InChIKey of 4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile?
The InChIKey is JSKXKKQFJSQZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-4-11(5-12(6-15)17-9)13-7-16-8-14(18-3)10(13)2/h4-5,7-8H,1-3H3.
What are the key properties of 4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile?
4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-4-methyl-3-pyridinyl)-6-methylpyridine-2-carbonitrile is sourced from PubChem (CID 175574748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).