5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile

C15H14N4O — CID 62233190

IUPAC5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCC1Cc2ccccc2O1
InChIInChI=1S/C15H14N4O/c16-7-11-5-12(17)8-18-15(11)19-9-13-6-10-3-1-2-4-14(10)20-13/h1-5,8,13H,6,9,17H2,(H,18,19)
InChIKeyGWEQDJFXMJTEKF-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.95
Rot. Bonds3

About 5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile

5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile (PubChem CID 62233190) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile
PubChem CID62233190
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCC1Cc2ccccc2O1
InChIInChI=1S/C15H14N4O/c16-7-11-5-12(17)8-18-15(11)19-9-13-6-10-3-1-2-4-14(10)20-13/h1-5,8,13H,6,9,17H2,(H,18,19)
InChIKeyGWEQDJFXMJTEKF-UHFFFAOYSA-N
XLogP1.95
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile (CID 62233190) is 5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1NCC1Cc2ccccc2O1.
What is the InChIKey of 5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile?
The InChIKey is GWEQDJFXMJTEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-7-11-5-12(17)8-18-15(11)19-9-13-6-10-3-1-2-4-14(10)20-13/h1-5,8,13H,6,9,17H2,(H,18,19).
What are the key properties of 5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile?
5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 62233190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).