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

C23H21N3O2 — CID 122653452

IUPAC1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)CCO3)ccn1
InChIInChI=1S/C23H21N3O2/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/h1-6,9,13-14H,7-8,10-12H2,(H2,24,27)
InChIKeyWBXOCGPFZUBNRE-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.40
Rot. Bonds4

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

1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653452) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653452
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)CCO3)ccn1
InChIInChI=1S/C23H21N3O2/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/h1-6,9,13-14H,7-8,10-12H2,(H2,24,27)
InChIKeyWBXOCGPFZUBNRE-UHFFFAOYSA-N
XLogP3.40
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653689
1-[4-[(3-fluoro-4-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653637
1-[4-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653624
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653688
1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid
CID 122653411
1-[1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindol-4-yl]-4-fluorobutan-1-one
CID 149328724
3-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzoic acid
CID 116927154
N-propyl-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181565
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
CID 122653603
N-[5-(methylamino)-5-oxopentyl]-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122660770
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
2-(2,3-dihydro-1-benzofuran-5-yloxy)pyridine-3-carboxamide
CID 141060321

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653452) is 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3c(c2)CCO3)ccn1.
What is the InChIKey of 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is WBXOCGPFZUBNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/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/h1-6,9,13-14H,7-8,10-12H2,(H2,24,27).
What are the key properties of 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).