N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide

C25H28N4O3 — CID 146516114

IUPACN-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(CCCCO)C3)ccn1
InChIInChI=1S/C25H28N4O3/c1-16(31)27-22-15-18(10-11-26-22)24-25(28-19-8-3-2-4-9-19)23-20(29-24)13-17(14-21(23)32)7-5-6-12-30/h2-4,8-11,15,17,28-30H,5-7,12-14H2,1H3,(H,26,27,31)
InChIKeyLTTYEFMTANMEKX-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.69
Rot. Bonds8

About N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide

N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide (PubChem CID 146516114) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
PubChem CID146516114
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(CCCCO)C3)ccn1
InChIInChI=1S/C25H28N4O3/c1-16(31)27-22-15-18(10-11-26-22)24-25(28-19-8-3-2-4-9-19)23-20(29-24)13-17(14-21(23)32)7-5-6-12-30/h2-4,8-11,15,17,28-30H,5-7,12-14H2,1H3,(H,26,27,31)
InChIKeyLTTYEFMTANMEKX-UHFFFAOYSA-N
XLogP4.69
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide (CID 146516114) is N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CC(CCCCO)C3)ccn1.
What is the InChIKey of N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide?
The InChIKey is LTTYEFMTANMEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16(31)27-22-15-18(10-11-26-22)24-25(28-19-8-3-2-4-9-19)23-20(29-24)13-17(14-21(23)32)7-5-6-12-30/h2-4,8-11,15,17,28-30H,5-7,12-14H2,1H3,(H,26,27,31).
What are the key properties of N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide?
N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 4.69, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 146516114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).