2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C16H15N3O — CID 678620

IUPAC2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2CCC3)cc1
InChIInChI=1S/C16H15N3O/c1-20-11-7-5-10(6-8-11)15-12-3-2-4-14(12)19-16(18)13(15)9-17/h5-8H,2-4H2,1H3,(H2,18,19)
InChIKeyZNVTWXYJKNWRSR-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.70
Rot. Bonds2

About 2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 678620) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID678620
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2CCC3)cc1
InChIInChI=1S/C16H15N3O/c1-20-11-7-5-10(6-8-11)15-12-3-2-4-14(12)19-16(18)13(15)9-17/h5-8H,2-4H2,1H3,(H2,18,19)
InChIKeyZNVTWXYJKNWRSR-UHFFFAOYSA-N
XLogP2.70
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 678620) is 2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is COc1ccc(-c2c(C#N)c(N)nc3c2CCC3)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is ZNVTWXYJKNWRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-11-7-5-10(6-8-11)15-12-3-2-4-14(12)19-16(18)13(15)9-17/h5-8H,2-4H2,1H3,(H2,18,19).
What are the key properties of 2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 678620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).