N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide

C22H17N3O4 — CID 112506085

IUPACN-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H17N3O4/c26-21(15-3-6-19-20(11-15)29-13-28-19)24-17-4-5-18-14(10-17)7-9-25(18)22(27)16-2-1-8-23-12-16/h1-6,8,10-12H,7,9,13H2,(H,24,26)
InChIKeyNEIZJMDHKRMHHA-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.27
Rot. Bonds3

About N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide

N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 112506085) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID112506085
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC NameN-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H17N3O4/c26-21(15-3-6-19-20(11-15)29-13-28-19)24-17-4-5-18-14(10-17)7-9-25(18)22(27)16-2-1-8-23-12-16/h1-6,8,10-12H,7,9,13H2,(H,24,26)
InChIKeyNEIZJMDHKRMHHA-UHFFFAOYSA-N
XLogP3.27
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 27557623
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]pyridine-4-carboxamide
CID 112506253
N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080913
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide
CID 86963920
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]acetamide
CID 110623427
4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide
CID 86949531
cis-(1R,3S)-2,2-dimethyl-3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391406
3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303864
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one
CID 125431268

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide (CID 112506085) is N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is NEIZJMDHKRMHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c26-21(15-3-6-19-20(11-15)29-13-28-19)24-17-4-5-18-14(10-17)7-9-25(18)22(27)16-2-1-8-23-12-16/h1-6,8,10-12H,7,9,13H2,(H,24,26).
What are the key properties of N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide?
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 112506085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).