4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile

C15H15N3O — CID 70924925

IUPAC4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(Cc2ccccc2)cc(N)c1C#N
InChIInChI=1S/C15H15N3O/c1-2-19-15-13(10-16)14(17)9-12(18-15)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H2,17,18)
InChIKeyCWAHKWSEBPNVMC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.52
Rot. Bonds4

About 4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile

4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile (PubChem CID 70924925) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile
PubChem CID70924925
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(Cc2ccccc2)cc(N)c1C#N
InChIInChI=1S/C15H15N3O/c1-2-19-15-13(10-16)14(17)9-12(18-15)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H2,17,18)
InChIKeyCWAHKWSEBPNVMC-UHFFFAOYSA-N
XLogP2.52
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile (CID 70924925) is 4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile is CCOc1nc(Cc2ccccc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile?
The InChIKey is CWAHKWSEBPNVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-19-15-13(10-16)14(17)9-12(18-15)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H2,17,18).
What are the key properties of 4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile?
4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 70924925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).