methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate

C15H18N2O3 — CID 82732224

IUPACmethyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate
SMILESCCc1cccnc1CNCc1ccoc1C(=O)OC
InChIInChI=1S/C15H18N2O3/c1-3-11-5-4-7-17-13(11)10-16-9-12-6-8-20-14(12)15(18)19-2/h4-8,16H,3,9-10H2,1-2H3
InChIKeyUJRFTIZTBKDKFN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.31
Rot. Bonds6

About methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate

methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate (PubChem CID 82732224) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate
PubChem CID82732224
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate
SMILESCCc1cccnc1CNCc1ccoc1C(=O)OC
InChIInChI=1S/C15H18N2O3/c1-3-11-5-4-7-17-13(11)10-16-9-12-6-8-20-14(12)15(18)19-2/h4-8,16H,3,9-10H2,1-2H3
InChIKeyUJRFTIZTBKDKFN-UHFFFAOYSA-N
XLogP2.31
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate
CID 43425518
methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate
CID 114699136
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate
CID 82739095
methyl 3-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]furan-2-carboxylate
CID 54885219
methyl 3-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]furan-2-carboxylate
CID 103920442
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
CID 103921879
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate
CID 60924016
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43425084

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate (CID 82732224) is methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate is CCc1cccnc1CNCc1ccoc1C(=O)OC.
What is the InChIKey of methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate?
The InChIKey is UJRFTIZTBKDKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-11-5-4-7-17-13(11)10-16-9-12-6-8-20-14(12)15(18)19-2/h4-8,16H,3,9-10H2,1-2H3.
What are the key properties of methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate?
methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 82732224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).