5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

C23H20N4O2 — CID 44573900

IUPAC5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2cc(C)c3[nH]ccc3c2)cc1OC
InChIInChI=1S/C23H20N4O2/c1-14-8-18(9-16-6-7-26-22(14)16)27-23-17(11-24)12-25-13-19(23)15-4-5-20(28-2)21(10-15)29-3/h4-10,12-13,26H,1-3H3,(H,25,27)
InChIKeyIZWBUZBLTONUFH-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.17
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 44573900) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID44573900
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2cc(C)c3[nH]ccc3c2)cc1OC
InChIInChI=1S/C23H20N4O2/c1-14-8-18(9-16-6-7-26-22(14)16)27-23-17(11-24)12-25-13-19(23)15-4-5-20(28-2)21(10-15)29-3/h4-10,12-13,26H,1-3H3,(H,25,27)
InChIKeyIZWBUZBLTONUFH-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-dichloroanilino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
CID 24860271
4-(1H-indol-6-ylamino)-5-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyridine-3-carbonitrile
CID 24865257
5-(3,4-dimethoxyphenyl)-4-[(4-ethyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
CID 44573899
4-(1H-indol-5-ylamino)-5-[4-methoxy-3-[2-(1-pyridin-3-ylethylamino)ethoxy]phenyl]pyridine-3-carbonitrile
CID 68969109
4-(2,5-dichloroanilino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
CID 24860269
5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile
CID 24864348
N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide
CID 24865070
5-[3-methoxy-4-[2-(1-phenylpropan-2-ylamino)ethoxy]phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
CID 118510446
4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 24866349
4-(2,1,3-benzothiadiazol-4-ylamino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile;5-(3,4-dimethoxyphenyl)-4-(isoquinolin-5-ylamino)pyridine-3-carbonitrile
CID 69094388
5-[3-(2-chloroethoxy)phenyl]-4-(1H-indol-6-ylamino)pyridine-3-carbonitrile
CID 24865435
5-[2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]-2-methoxybenzonitrile
CID 173047408

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 44573900) is 5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is COc1ccc(-c2cncc(C#N)c2Nc2cc(C)c3[nH]ccc3c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is IZWBUZBLTONUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-14-8-18(9-16-6-7-26-22(14)16)27-23-17(11-24)12-25-13-19(23)15-4-5-20(28-2)21(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-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
5-(3,4-dimethoxyphenyl)-4-[(7-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-[(7-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 44573900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).