methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate

C13H18N2O3 — CID 169247678

IUPACmethyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCCN(CC)c1nc2c(cc1C(=O)OC)COC2
InChIInChI=1S/C13H18N2O3/c1-4-15(5-2)12-10(13(16)17-3)6-9-7-18-8-11(9)14-12/h6H,4-5,7-8H2,1-3H3
InChIKeyDKICFBWWTCWGPJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.74
Rot. Bonds4

About methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate

methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (PubChem CID 169247678) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
PubChem CID169247678
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCCN(CC)c1nc2c(cc1C(=O)OC)COC2
InChIInChI=1S/C13H18N2O3/c1-4-15(5-2)12-10(13(16)17-3)6-9-7-18-8-11(9)14-12/h6H,4-5,7-8H2,1-3H3
InChIKeyDKICFBWWTCWGPJ-UHFFFAOYSA-N
XLogP1.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[ethyl(propan-2-yl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
CID 169247746
methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
CID 169247691
methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
CID 131536994
methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate
CID 134966576
methyl 4-(diethylamino)-2-hydroxybenzoate
CID 18402115
methyl 2-(diethylamino)-3-nitropyridine-4-carboxylate
CID 165495545
methyl 7,8-dihydro-5H-pyrano[4,3-b]pyridine-2-carboxylate
CID 163390818
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone
CID 105446019
2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 63940122
2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916507
methyl 6-(diethylamino)quinoline-4-carboxylate
CID 102941784

Frequently Asked Questions

What is the IUPAC name of methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (CID 169247678) is methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is CCN(CC)c1nc2c(cc1C(=O)OC)COC2.
What is the InChIKey of methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The InChIKey is DKICFBWWTCWGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-15(5-2)12-10(13(16)17-3)6-9-7-18-8-11(9)14-12/h6H,4-5,7-8H2,1-3H3.
What are the key properties of methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 169247678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).