N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide

C24H22N2O3 — CID 42794220

IUPACN-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(C1Cc2ccccc2C1)N(Cc1ccccn1)Cc1cccc2c1OCO2
InChIInChI=1S/C24H22N2O3/c27-24(20-12-17-6-1-2-7-18(17)13-20)26(15-21-9-3-4-11-25-21)14-19-8-5-10-22-23(19)29-16-28-22/h1-11,20H,12-16H2
InChIKeyZZDVFEMMRGUACZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.75
Rot. Bonds5

About N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 42794220) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID42794220
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(C1Cc2ccccc2C1)N(Cc1ccccn1)Cc1cccc2c1OCO2
InChIInChI=1S/C24H22N2O3/c27-24(20-12-17-6-1-2-7-18(17)13-20)26(15-21-9-3-4-11-25-21)14-19-8-5-10-22-23(19)29-16-28-22/h1-11,20H,12-16H2
InChIKeyZZDVFEMMRGUACZ-UHFFFAOYSA-N
XLogP3.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851878
N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4583123
N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 6487075
2-(1,3-benzodioxol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854804
(3R,4R)-1-(1,3-benzodioxol-4-ylmethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
CID 56853923
N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
CID 42277857
N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 52992580
N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42778763
2,2,2-trifluoroethyl 2-[3,4-dihydro-2H-chromen-5-ylmethyl(pyridin-2-ylmethyl)amino]-2-oxoacetate
CID 169111939
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 60952650
2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
CID 65407017
4-(1,3-benzodioxol-4-yl)-5-methoxycarbonyl-2,6-dimethyl-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl]-2,4-dihydro-1H-pyridine-3-carboxylic acid;dihydrochloride
CID 70363637

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 42794220) is N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(C1Cc2ccccc2C1)N(Cc1ccccn1)Cc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is ZZDVFEMMRGUACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-24(20-12-17-6-1-2-7-18(17)13-20)26(15-21-9-3-4-11-25-21)14-19-8-5-10-22-23(19)29-16-28-22/h1-11,20H,12-16H2.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 42794220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).