5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

C24H23N5O — CID 71000890

About 5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 71000890) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
• PubChem CID: 71000890
• Molecular Formula: C24H23N5O
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.19
• IUPAC Name: 5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
• SMILES: Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1/C=C/C1CC=CC(CO)=N1
• InChI: InChI=1S/C24H23N5O/c1-15-20-10-11-26-23(20)9-8-22(15)29-24-17(12-25)13-27-16(2)21(24)7-6-18-4-3-5-19(14-30)28-18/h3,5-11,13,18,26,30H,4,14H2,1-2H3,(H,27,29)/b7-6+
• InChIKey: KQCSXZRGUNZBOP-VOTSOKGWSA-N
• XLogP: 4.57
• TPSA: 97.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?

The IUPAC name of 5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 71000890) is 5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?

The canonical SMILES for 5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1/C=C/C1CC=CC(CO)=N1.

What is the InChIKey of 5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?

The InChIKey is KQCSXZRGUNZBOP-VOTSOKGWSA-N. The full InChI is InChI=1S/C24H23N5O/c1-15-20-10-11-26-23(20)9-8-22(15)29-24-17(12-25)13-27-16(2)21(24)7-6-18-4-3-5-19(14-30)28-18/h3,5-11,13,18,26,30H,4,14H2,1-2H3,(H,27,29)/b7-6+.

What are the key properties of 5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?

5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 397.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-2-[6-(hydroxymethyl)-2,3-dihydropyridin-2-yl]ethenyl]-6-methyl-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 71000890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).