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

C23H19N3O2 — CID 122653690

IUPAC1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C23H19N3O2/c24-23(27)19-2-1-3-20-18(19)7-10-26(20)22-14-16(6-9-25-22)12-15-4-5-21-17(13-15)8-11-28-21/h1-6,8-9,11,13-14H,7,10,12H2,(H2,24,27)
InChIKeyALYMUMFNDVNYFZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.21
Rot. Bonds4

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

1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653690) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653690
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C23H19N3O2/c24-23(27)19-2-1-3-20-18(19)7-10-26(20)22-14-16(6-9-25-22)12-15-4-5-21-17(13-15)8-11-28-21/h1-6,8-9,11,13-14H,7,10,12H2,(H2,24,27)
InChIKeyALYMUMFNDVNYFZ-UHFFFAOYSA-N
XLogP4.21
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653690) is 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1.
What is the InChIKey of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is ALYMUMFNDVNYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c24-23(27)19-2-1-3-20-18(19)7-10-26(20)22-14-16(6-9-25-22)12-15-4-5-21-17(13-15)8-11-28-21/h1-6,8-9,11,13-14H,7,10,12H2,(H2,24,27).
What are the key properties of 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).