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

C20H18N4O — CID 11336477

IUPAC2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile
SMILESCCOc1cc(-c2ccccc2C#N)cnc1Nc1cccc(C)n1
InChIInChI=1S/C20H18N4O/c1-3-25-18-11-16(17-9-5-4-8-15(17)12-21)13-22-20(18)24-19-10-6-7-14(2)23-19/h4-11,13H,3H2,1-2H3,(H,22,23,24)
InChIKeyPVFREVVQIPXBLS-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.47
Rot. Bonds5

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

2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile (PubChem CID 11336477) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile
PubChem CID11336477
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile
SMILESCCOc1cc(-c2ccccc2C#N)cnc1Nc1cccc(C)n1
InChIInChI=1S/C20H18N4O/c1-3-25-18-11-16(17-9-5-4-8-15(17)12-21)13-22-20(18)24-19-10-6-7-14(2)23-19/h4-11,13H,3H2,1-2H3,(H,22,23,24)
InChIKeyPVFREVVQIPXBLS-UHFFFAOYSA-N
XLogP4.47
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile (CID 11336477) is 2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile is CCOc1cc(-c2ccccc2C#N)cnc1Nc1cccc(C)n1.
What is the InChIKey of 2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile?
The InChIKey is PVFREVVQIPXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-3-25-18-11-16(17-9-5-4-8-15(17)12-21)13-22-20(18)24-19-10-6-7-14(2)23-19/h4-11,13H,3H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile?
2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile has a molecular weight of 330.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 11336477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).