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

C22H19N3O3 — CID 122653427

IUPAC1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C22H19N3O3/c23-22(26)17-2-1-3-18-16(17)7-9-25(18)21-12-15(6-8-24-21)10-14-4-5-19-20(11-14)28-13-27-19/h1-6,8,11-12H,7,9-10,13H2,(H2,23,26)
InChIKeyAPMFDVMFLIUXJM-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.19
Rot. Bonds4

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

1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653427) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653427
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C22H19N3O3/c23-22(26)17-2-1-3-18-16(17)7-9-25(18)21-12-15(6-8-24-21)10-14-4-5-19-20(11-14)28-13-27-19/h1-6,8,11-12H,7,9-10,13H2,(H2,23,26)
InChIKeyAPMFDVMFLIUXJM-UHFFFAOYSA-N
XLogP3.19
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653427) is 1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of 1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is APMFDVMFLIUXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c23-22(26)17-2-1-3-18-16(17)7-9-25(18)21-12-15(6-8-24-21)10-14-4-5-19-20(11-14)28-13-27-19/h1-6,8,11-12H,7,9-10,13H2,(H2,23,26).
What are the key properties of 1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzodioxol-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).