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

C14H18N2O3 — CID 169247691

IUPACmethyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(nc1N(C)CC1CC1)COC2
InChIInChI=1S/C14H18N2O3/c1-16(6-9-3-4-9)13-11(14(17)18-2)5-10-7-19-8-12(10)15-13/h5,9H,3-4,6-8H2,1-2H3
InChIKeyJLAWPNNCLJQKAN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.74
Rot. Bonds4

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

methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (PubChem CID 169247691) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
PubChem CID169247691
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(nc1N(C)CC1CC1)COC2
InChIInChI=1S/C14H18N2O3/c1-16(6-9-3-4-9)13-11(14(17)18-2)5-10-7-19-8-12(10)15-13/h5,9H,3-4,6-8H2,1-2H3
InChIKeyJLAWPNNCLJQKAN-UHFFFAOYSA-N
XLogP1.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (CID 169247691) is methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is COC(=O)c1cc2c(nc1N(C)CC1CC1)COC2.
What is the InChIKey of methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The InChIKey is JLAWPNNCLJQKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(6-9-3-4-9)13-11(14(17)18-2)5-10-7-19-8-12(10)15-13/h5,9H,3-4,6-8H2,1-2H3.
What are the key properties of methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate has a molecular weight of 262.31 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-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 169247691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).