N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide

C24H24N2O3 — CID 125177128

IUPACN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide
SMILESCc1cc(C)nc(-c2cccc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)c2)c1
InChIInChI=1S/C24H24N2O3/c1-16-11-17(2)25-21(12-16)18-7-6-8-19(13-18)24(27)26(3)14-20-15-28-22-9-4-5-10-23(22)29-20/h4-13,20H,14-15H2,1-3H3/t20-/m1/s1
InChIKeyAAQLHQZCCUBQGV-HXUWFJFHSA-N
MW388.47 g/mol
LogP4.28
Rot. Bonds4

About N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide (PubChem CID 125177128) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide
PubChem CID125177128
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide
SMILESCc1cc(C)nc(-c2cccc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)c2)c1
InChIInChI=1S/C24H24N2O3/c1-16-11-17(2)25-21(12-16)18-7-6-8-19(13-18)24(27)26(3)14-20-15-28-22-9-4-5-10-23(22)29-20/h4-13,20H,14-15H2,1-3H3/t20-/m1/s1
InChIKeyAAQLHQZCCUBQGV-HXUWFJFHSA-N
XLogP4.28
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,3-trimethylquinoxaline-6-carboxamide
CID 42894511
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 124967540
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 40633418
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methoxy-N,4-dimethylbenzamide
CID 51230534
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,4-trimethylbenzamide
CID 51144829
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 9467149
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 110090655
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55358361
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 95204163
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrimidin-5-ylpyridine-2-carboxamide
CID 124968367
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide
CID 95202806
5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 94521608

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide?
The IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide (CID 125177128) is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide.
What is the SMILES notation for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide?
The canonical SMILES for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide is Cc1cc(C)nc(-c2cccc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)c2)c1.
What is the InChIKey of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide?
The InChIKey is AAQLHQZCCUBQGV-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-11-17(2)25-21(12-16)18-7-6-8-19(13-18)24(27)26(3)14-20-15-28-22-9-4-5-10-23(22)29-20/h4-13,20H,14-15H2,1-3H3/t20-/m1/s1.
What are the key properties of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide?
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4,6-dimethyl-2-pyridinyl)-N-methylbenzamide is sourced from PubChem (CID 125177128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).