1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

C25H25N3O3 — CID 122653460

IUPAC1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)CCO3)ccn1
InChIInChI=1S/C25H25N3O3/c29-12-10-27-25(30)21-2-1-3-22-20(21)7-11-28(22)24-16-18(6-9-26-24)14-17-4-5-23-19(15-17)8-13-31-23/h1-6,9,15-16,29H,7-8,10-14H2,(H,27,30)
InChIKeyOFSXSTCXDNOYRR-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.02
Rot. Bonds6

About 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 122653460) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID122653460
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)CCO3)ccn1
InChIInChI=1S/C25H25N3O3/c29-12-10-27-25(30)21-2-1-3-22-20(21)7-11-28(22)24-16-18(6-9-26-24)14-17-4-5-23-19(15-17)8-13-31-23/h1-6,9,15-16,29H,7-8,10-14H2,(H,27,30)
InChIKeyOFSXSTCXDNOYRR-UHFFFAOYSA-N
XLogP3.02
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (CID 122653460) is 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)CCO3)ccn1.
What is the InChIKey of 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is OFSXSTCXDNOYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-12-10-27-25(30)21-2-1-3-22-20(21)7-11-28(22)24-16-18(6-9-26-24)14-17-4-5-23-19(15-17)8-13-31-23/h1-6,9,15-16,29H,7-8,10-14H2,(H,27,30).
What are the key properties of 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).