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

C23H20N4O2 — CID 44573898

IUPAC5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1OC
InChIInChI=1S/C23H20N4O2/c1-14-17-8-9-26-20(17)6-5-19(14)27-23-16(11-24)12-25-13-18(23)15-4-7-21(28-2)22(10-15)29-3/h4-10,12-13,26H,1-3H3,(H,25,27)
InChIKeyJWTNYYVEXFBGQI-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.17
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 44573898) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID44573898
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1OC
InChIInChI=1S/C23H20N4O2/c1-14-17-8-9-26-20(17)6-5-19(14)27-23-16(11-24)12-25-13-18(23)15-4-7-21(28-2)22(10-15)29-3/h4-10,12-13,26H,1-3H3,(H,25,27)
InChIKeyJWTNYYVEXFBGQI-UHFFFAOYSA-N
XLogP5.17
TPSA82.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843
4-[(3-Aminophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328848
4-{[3-(Dimethylamino)phenyl]amino}-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328849
6,7-Dimethoxy-4-[(4-methylphenyl)amino]quinoline-3-carbonitrile
CID 5328854
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 9800737
3-(1H-indol-3-yl)-6,7-dimethoxy-quinoline
CID 9972296
5-(3,4-dimethoxyphenyl)-4-(1H-indol-5-ylamino)nicotinonitrile
CID 24770517
5-(3,4-Dimethoxyphenyl)-4-[(4-methylphenyl)amino]pyridine-3-carbonitrile
CID 24858083
5-(3,4-Dimethoxyphenyl)-4-[(2,4-dimethylphenyl)amino]pyridine-3-carbonitrile
CID 24860133
4-(1H-indol-4-ylamino)-5-[4-methoxy-3-(2-methoxyethoxy)phenyl]nicotinonitrile
CID 24865071
4-Indolylamino-5-phenyl-3-pyridinecarbonitrile, 7b
CID 24865072
4-Indolylamino-5-phenyl-3-pyridinecarbonitrile, 7d
CID 24865433

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 44573898) is 5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is COc1ccc(-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is JWTNYYVEXFBGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-14-17-8-9-26-20(17)6-5-19(14)27-23-16(11-24)12-25-13-18(23)15-4-7-21(28-2)22(10-15)29-3/h4-10,12-13,26H,1-3H3,(H,25,27).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 384.44 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 44573898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).