3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide

C25H28N4O5 — CID 134563196

IUPAC3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
SMILESCN(CCO)C(=O)C1CC(=O)c2c([nH]c(-c3ccncc3OCCO)c2Nc2ccccc2)C1
InChIInChI=1S/C25H28N4O5/c1-29(9-10-30)25(33)16-13-19-22(20(32)14-16)24(27-17-5-3-2-4-6-17)23(28-19)18-7-8-26-15-21(18)34-12-11-31/h2-8,15-16,27-28,30-31H,9-14H2,1H3
InChIKeyYPFABYOBKVJBHR-UHFFFAOYSA-N
MW464.52 g/mol
LogP2.39
Rot. Bonds9

About 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide

3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide (PubChem CID 134563196) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide.

Molecular Properties

Compound Name3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
PubChem CID134563196
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
SMILESCN(CCO)C(=O)C1CC(=O)c2c([nH]c(-c3ccncc3OCCO)c2Nc2ccccc2)C1
InChIInChI=1S/C25H28N4O5/c1-29(9-10-30)25(33)16-13-19-22(20(32)14-16)24(27-17-5-3-2-4-6-17)23(28-19)18-7-8-26-15-21(18)34-12-11-31/h2-8,15-16,27-28,30-31H,9-14H2,1H3
InChIKeyYPFABYOBKVJBHR-UHFFFAOYSA-N
XLogP2.39
TPSA127.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide?
The IUPAC name of 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide (CID 134563196) is 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide.
What is the SMILES notation for 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide?
The canonical SMILES for 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide is CN(CCO)C(=O)C1CC(=O)c2c([nH]c(-c3ccncc3OCCO)c2Nc2ccccc2)C1.
What is the InChIKey of 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide?
The InChIKey is YPFABYOBKVJBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-29(9-10-30)25(33)16-13-19-22(20(32)14-16)24(27-17-5-3-2-4-6-17)23(28-19)18-7-8-26-15-21(18)34-12-11-31/h2-8,15-16,27-28,30-31H,9-14H2,1H3.
What are the key properties of 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide?
3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 2.39, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide is sourced from PubChem (CID 134563196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).