5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

C24H23N5 — CID 45487571

IUPAC5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2cccc(CN(C)C)c2)ccc2[nH]ccc12
InChIInChI=1S/C24H23N5/c1-16-20-9-10-27-23(20)8-7-22(16)28-24-19(12-25)13-26-14-21(24)18-6-4-5-17(11-18)15-29(2)3/h4-11,13-14,27H,15H2,1-3H3,(H,26,28)
InChIKeyGQDKNFXTRUBAEB-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.22
Rot. Bonds5

About 5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 45487571) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID45487571
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2cccc(CN(C)C)c2)ccc2[nH]ccc12
InChIInChI=1S/C24H23N5/c1-16-20-9-10-27-23(20)8-7-22(16)28-24-19(12-25)13-26-14-21(24)18-6-4-5-17(11-18)15-29(2)3/h4-11,13-14,27H,15H2,1-3H3,(H,26,28)
InChIKeyGQDKNFXTRUBAEB-UHFFFAOYSA-N
XLogP5.22
TPSA67.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 45487571) is 5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is Cc1c(Nc2c(C#N)cncc2-c2cccc(CN(C)C)c2)ccc2[nH]ccc12.
What is the InChIKey of 5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is GQDKNFXTRUBAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-16-20-9-10-27-23(20)8-7-22(16)28-24-19(12-25)13-26-14-21(24)18-6-4-5-17(11-18)15-29(2)3/h4-11,13-14,27H,15H2,1-3H3,(H,26,28).
What are the key properties of 5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 381.48 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(dimethylamino)methyl]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 45487571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).