N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C15H14N2O3 — CID 2906552

IUPACN-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C15H14N2O3/c1-10-5-4-8-16-14(10)17-15(18)13-9-19-11-6-2-3-7-12(11)20-13/h2-8,13H,9H2,1H3,(H,16,17,18)
InChIKeyWTCLHVVKMBNEOQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.17
Rot. Bonds2

About N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2906552) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2906552
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C15H14N2O3/c1-10-5-4-8-16-14(10)17-15(18)13-9-19-11-6-2-3-7-12(11)20-13/h2-8,13H,9H2,1H3,(H,16,17,18)
InChIKeyWTCLHVVKMBNEOQ-UHFFFAOYSA-N
XLogP2.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Orm-13070
CID 46209194
N-(5-chloropyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3155499
2-Phenoxy-N-(2-pyridinyl)acetamide
CID 816671
Piperazine, 1-(((2S)-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-(3-(methoxy-11C-methyl)-2-pyridinyl)-
CID 46207731
N-benzyl-2-(4-methylphenoxy)-N-pyridin-2-ylacetamide
CID 698463
N-(6-methylpyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2908518
1-[2-(2-Methylphenoxy)propanoyl]-4-(2-pyridinyl)piperazine
CID 2976964
2,3-Dihydro-1,4-benzodioxin-3-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
CID 4878095
N-(3-methyl-2-pyridinyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 17395946
1-[(3-Methylpyridin-2-yl)amino]-3-phenoxypropan-2-ol
CID 2922045
2-(2-Methoxy-phenoxy)-N-pyridin-2-yl-acetamide
CID 648158
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1-pyridin-2-ylpiperidin-4-yl)methanamine
CID 19079020

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2906552) is N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1cccnc1NC(=O)C1COc2ccccc2O1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is WTCLHVVKMBNEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-5-4-8-16-14(10)17-15(18)13-9-19-11-6-2-3-7-12(11)20-13/h2-8,13H,9H2,1H3,(H,16,17,18).
What are the key properties of N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2906552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).