N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide

C21H17N3O3 — CID 109219632

IUPACN-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(N2CCc3ccccc32)ccn1
InChIInChI=1S/C21H17N3O3/c25-21(23-15-5-6-19-20(11-15)27-13-26-19)17-12-16(7-9-22-17)24-10-8-14-3-1-2-4-18(14)24/h1-7,9,11-12H,8,10,13H2,(H,23,25)
InChIKeyXUGBCULACVVAPJ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.76
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide (PubChem CID 109219632) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
PubChem CID109219632
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(N2CCc3ccccc32)ccn1
InChIInChI=1S/C21H17N3O3/c25-21(23-15-5-6-19-20(11-15)27-13-26-19)17-12-16(7-9-22-17)24-10-8-14-3-1-2-4-18(14)24/h1-7,9,11-12H,8,10,13H2,(H,23,25)
InChIKeyXUGBCULACVVAPJ-UHFFFAOYSA-N
XLogP3.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219720
4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109219625
N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197942
N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219601
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335430
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109356572
4-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpyridine-2-carboxamide
CID 109218742
N-(3-acetamidophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219711
N-(1,3-benzodioxol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215731
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109203323
[4-(2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203702
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109219730

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide (CID 109219632) is N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(N2CCc3ccccc32)ccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide?
The InChIKey is XUGBCULACVVAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-21(23-15-5-6-19-20(11-15)27-13-26-19)17-12-16(7-9-22-17)24-10-8-14-3-1-2-4-18(14)24/h1-7,9,11-12H,8,10,13H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109219632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).