(3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C18H20N2O4 — CID 94353144

IUPAC(3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)[C@H]2COc3ccccc3O2)c1C
InChIInChI=1S/C18H20N2O4/c1-11-8-19-13(12(2)17(11)22-3)9-20-18(21)16-10-23-14-6-4-5-7-15(14)24-16/h4-8,16H,9-10H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyAHWUAVBCRDDCBU-MRXNPFEDSA-N
MW328.37 g/mol
LogP2.16
Rot. Bonds4

About (3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 94353144) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID94353144
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)[C@H]2COc3ccccc3O2)c1C
InChIInChI=1S/C18H20N2O4/c1-11-8-19-13(12(2)17(11)22-3)9-20-18(21)16-10-23-14-6-4-5-7-15(14)24-16/h4-8,16H,9-10H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyAHWUAVBCRDDCBU-MRXNPFEDSA-N
XLogP2.16
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56749217
(3S)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94633935
trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 94353124
(3S)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1092700
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 39997055
(3S)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95193019
4-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-methoxybutanoic acid
CID 103153088
(3R)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30379318
5-[[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 125149392
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 132654968
(3S)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94812085
N'-(3-methoxy-4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 46671173

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 94353144) is (3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is COc1c(C)cnc(CNC(=O)[C@H]2COc3ccccc3O2)c1C.
What is the InChIKey of (3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is AHWUAVBCRDDCBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-8-19-13(12(2)17(11)22-3)9-20-18(21)16-10-23-14-6-4-5-7-15(14)24-16/h4-8,16H,9-10H2,1-3H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 94353144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).