N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide

C24H24N2O3 — CID 95202806

IUPACN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)cn2)c1C
InChIInChI=1S/C24H24N2O3/c1-16-7-6-8-20(17(16)2)21-12-11-18(13-25-21)24(27)26(3)14-19-15-28-22-9-4-5-10-23(22)29-19/h4-13,19H,14-15H2,1-3H3/t19-/m1/s1
InChIKeyXTPFMOMRRWEITQ-LJQANCHMSA-N
MW388.47 g/mol
LogP4.28
Rot. Bonds4

About N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide (PubChem CID 95202806) 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]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide
PubChem CID95202806
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)cn2)c1C
InChIInChI=1S/C24H24N2O3/c1-16-7-6-8-20(17(16)2)21-12-11-18(13-25-21)24(27)26(3)14-19-15-28-22-9-4-5-10-23(22)29-19/h4-13,19H,14-15H2,1-3H3/t19-/m1/s1
InChIKeyXTPFMOMRRWEITQ-LJQANCHMSA-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

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Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 95220189
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 95204163
5-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 125149975
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide
CID 56746018
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide
CID 95209495
6-(azepan-1-yl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 39556788
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methoxy-N,4-dimethylbenzamide
CID 51230534
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 31985384
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 47021778
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,3-trimethylquinoxaline-6-carboxamide
CID 42894511
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide
CID 46563445
4-(difluoromethoxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylbenzamide
CID 31975786

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide (CID 95202806) is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide is Cc1cccc(-c2ccc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)cn2)c1C.
What is the InChIKey of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is XTPFMOMRRWEITQ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-7-6-8-20(17(16)2)21-12-11-18(13-25-21)24(27)26(3)14-19-15-28-22-9-4-5-10-23(22)29-19/h4-13,19H,14-15H2,1-3H3/t19-/m1/s1.
What are the key properties of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide?
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide 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]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 95202806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).