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

C19H23N3O4 — CID 95209495

IUPACN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide
SMILESCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(N(C)CCO)nc1
InChIInChI=1S/C19H23N3O4/c1-21(9-10-23)18-8-7-14(11-20-18)19(24)22(2)12-15-13-25-16-5-3-4-6-17(16)26-15/h3-8,11,15,23H,9-10,12-13H2,1-2H3/t15-/m1/s1
InChIKeyNFCQNQUBRGRZKJ-OAHLLOKOSA-N
MW357.41 g/mol
LogP1.42
Rot. Bonds6

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

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 95209495) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID95209495
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide
SMILESCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(N(C)CCO)nc1
InChIInChI=1S/C19H23N3O4/c1-21(9-10-23)18-8-7-14(11-20-18)19(24)22(2)12-15-13-25-16-5-3-4-6-17(16)26-15/h3-8,11,15,23H,9-10,12-13H2,1-2H3/t15-/m1/s1
InChIKeyNFCQNQUBRGRZKJ-OAHLLOKOSA-N
XLogP1.42
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide
CID 56746018
5-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 125149975
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 95220189
6-(azepan-1-yl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 39556788
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 95204163
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-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-(2,3-dimethylphenyl)-N-methylpyridine-3-carboxamide
CID 95202806
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,2,3-trimethylquinoxaline-6-carboxamide
CID 42894511
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 9467149
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 31984715

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide (CID 95209495) is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide is CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(N(C)CCO)nc1.
What is the InChIKey of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is NFCQNQUBRGRZKJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-21(9-10-23)18-8-7-14(11-20-18)19(24)22(2)12-15-13-25-16-5-3-4-6-17(16)26-15/h3-8,11,15,23H,9-10,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide?
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-[2-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-hydroxyethyl(methyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 95209495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).