2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile

C16H15N3O — CID 131970005

IUPAC2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile
SMILESCOC1=CCNC=C1c1cc2cc(C#N)ccc2n1C
InChIInChI=1S/C16H15N3O/c1-19-14-4-3-11(9-17)7-12(14)8-15(19)13-10-18-6-5-16(13)20-2/h3-5,7-8,10,18H,6H2,1-2H3
InChIKeySPSKZHNILTXPAY-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.52
Rot. Bonds2

About 2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile

2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile (PubChem CID 131970005) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile
PubChem CID131970005
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile
SMILESCOC1=CCNC=C1c1cc2cc(C#N)ccc2n1C
InChIInChI=1S/C16H15N3O/c1-19-14-4-3-11(9-17)7-12(14)8-15(19)13-10-18-6-5-16(13)20-2/h3-5,7-8,10,18H,6H2,1-2H3
InChIKeySPSKZHNILTXPAY-UHFFFAOYSA-N
XLogP2.52
TPSA49.98 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile?
The IUPAC name of 2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile (CID 131970005) is 2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile.
What is the SMILES notation for 2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile?
The canonical SMILES for 2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile is COC1=CCNC=C1c1cc2cc(C#N)ccc2n1C.
What is the InChIKey of 2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile?
The InChIKey is SPSKZHNILTXPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19-14-4-3-11(9-17)7-12(14)8-15(19)13-10-18-6-5-16(13)20-2/h3-5,7-8,10,18H,6H2,1-2H3.
What are the key properties of 2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile?
2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1,2-dihydropyridin-5-yl)-1-methylindole-5-carbonitrile is sourced from PubChem (CID 131970005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).