2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide

C19H20N2O4 — CID 102554718

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1cc(CNC(=O)C2CC2c2ccc3c(c2)OCCO3)ccn1
InChIInChI=1S/C19H20N2O4/c1-23-18-8-12(4-5-20-18)11-21-19(22)15-10-14(15)13-2-3-16-17(9-13)25-7-6-24-16/h2-5,8-9,14-15H,6-7,10-11H2,1H3,(H,21,22)
InChIKeyLRODUAUDCGEWLN-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.28
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 102554718) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID102554718
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1cc(CNC(=O)C2CC2c2ccc3c(c2)OCCO3)ccn1
InChIInChI=1S/C19H20N2O4/c1-23-18-8-12(4-5-20-18)11-21-19(22)15-10-14(15)13-2-3-16-17(9-13)25-7-6-24-16/h2-5,8-9,14-15H,6-7,10-11H2,1H3,(H,21,22)
InChIKeyLRODUAUDCGEWLN-UHFFFAOYSA-N
XLogP2.28
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18167334
2-[3-[[[(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 125131749
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18155595
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
7-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]heptanoic acid
CID 119227407
6-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]hexanoic acid
CID 119219981
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 102779392
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 102554718) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide is COc1cc(CNC(=O)C2CC2c2ccc3c(c2)OCCO3)ccn1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is LRODUAUDCGEWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-18-8-12(4-5-20-18)11-21-19(22)15-10-14(15)13-2-3-16-17(9-13)25-7-6-24-16/h2-5,8-9,14-15H,6-7,10-11H2,1H3,(H,21,22).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 102554718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).