2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

C28H29N5O3 — CID 141308215

IUPAC2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1cc(-c2nccc(Nc3ccc4[nH]ccc4c3C)c2C#N)ccc1OCCN1CCOCC1
InChIInChI=1S/C28H29N5O3/c1-19-21-7-9-30-24(21)5-4-23(19)32-25-8-10-31-28(22(25)18-29)20-3-6-26(27(17-20)34-2)36-16-13-33-11-14-35-15-12-33/h3-10,17,30H,11-16H2,1-2H3,(H,31,32)
InChIKeyPISOZTVTTDUZHU-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.87
Rot. Bonds8

About 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 141308215) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID141308215
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1cc(-c2nccc(Nc3ccc4[nH]ccc4c3C)c2C#N)ccc1OCCN1CCOCC1
InChIInChI=1S/C28H29N5O3/c1-19-21-7-9-30-24(21)5-4-23(19)32-25-8-10-31-28(22(25)18-29)20-3-6-26(27(17-20)34-2)36-16-13-33-11-14-35-15-12-33/h3-10,17,30H,11-16H2,1-2H3,(H,31,32)
InChIKeyPISOZTVTTDUZHU-UHFFFAOYSA-N
XLogP4.87
TPSA95.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 141308215) is 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is COc1cc(-c2nccc(Nc3ccc4[nH]ccc4c3C)c2C#N)ccc1OCCN1CCOCC1.
What is the InChIKey of 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is PISOZTVTTDUZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-19-21-7-9-30-24(21)5-4-23(19)32-25-8-10-31-28(22(25)18-29)20-3-6-26(27(17-20)34-2)36-16-13-33-11-14-35-15-12-33/h3-10,17,30H,11-16H2,1-2H3,(H,31,32).
What are the key properties of 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 483.57 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 141308215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).