5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile

C14H14N4O — CID 11172830

IUPAC5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile
SMILESCCOc1cc(C#N)cnc1Nc1cccc(C)n1
InChIInChI=1S/C14H14N4O/c1-3-19-12-7-11(8-15)9-16-14(12)18-13-6-4-5-10(2)17-13/h4-7,9H,3H2,1-2H3,(H,16,17,18)
InChIKeyINJXYYMXQAALDH-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.80
Rot. Bonds4

About 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile

5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile (PubChem CID 11172830) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile
PubChem CID11172830
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile
SMILESCCOc1cc(C#N)cnc1Nc1cccc(C)n1
InChIInChI=1S/C14H14N4O/c1-3-19-12-7-11(8-15)9-16-14(12)18-13-6-4-5-10(2)17-13/h4-7,9H,3H2,1-2H3,(H,16,17,18)
InChIKeyINJXYYMXQAALDH-UHFFFAOYSA-N
XLogP2.80
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile (CID 11172830) is 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile is CCOc1cc(C#N)cnc1Nc1cccc(C)n1.
What is the InChIKey of 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile?
The InChIKey is INJXYYMXQAALDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-19-12-7-11(8-15)9-16-14(12)18-13-6-4-5-10(2)17-13/h4-7,9H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile?
5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 11172830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).