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

C30H34N4O3 — CID 122653808

IUPAC1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NC1CCN(CCO)CC1)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)CCO3)ccn1
InChIInChI=1S/C30H34N4O3/c35-16-15-33-12-7-24(8-13-33)32-30(36)26-2-1-3-27-25(26)9-14-34(27)29-20-22(6-11-31-29)18-21-4-5-28-23(19-21)10-17-37-28/h1-6,11,19-20,24,35H,7-10,12-18H2,(H,32,36)
InChIKeyLEBMZKYJFOTHLV-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.49
Rot. Bonds7

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

1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653808) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653808
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC Name1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NC1CCN(CCO)CC1)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)CCO3)ccn1
InChIInChI=1S/C30H34N4O3/c35-16-15-33-12-7-24(8-13-33)32-30(36)26-2-1-3-27-25(26)9-14-34(27)29-20-22(6-11-31-29)18-21-4-5-28-23(19-21)10-17-37-28/h1-6,11,19-20,24,35H,7-10,12-18H2,(H,32,36)
InChIKeyLEBMZKYJFOTHLV-UHFFFAOYSA-N
XLogP3.49
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide (CID 122653808) is 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide is O=C(NC1CCN(CCO)CC1)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)CCO3)ccn1.
What is the InChIKey of 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is LEBMZKYJFOTHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c35-16-15-33-12-7-24(8-13-33)32-30(36)26-2-1-3-27-25(26)9-14-34(27)29-20-22(6-11-31-29)18-21-4-5-28-23(19-21)10-17-37-28/h1-6,11,19-20,24,35H,7-10,12-18H2,(H,32,36).
What are the key properties of 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide?
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).