ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate

C15H18N2O3 — CID 61042919

IUPACethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(C)Cc1ccco1
InChIInChI=1S/C15H18N2O3/c1-3-19-15(18)13-7-4-8-16-14(13)17-11(2)10-12-6-5-9-20-12/h4-9,11H,3,10H2,1-2H3,(H,16,17)
InChIKeyBCNVXXWGLYIRRB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.89
Rot. Bonds6

About ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate

ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate (PubChem CID 61042919) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate
PubChem CID61042919
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(C)Cc1ccco1
InChIInChI=1S/C15H18N2O3/c1-3-19-15(18)13-7-4-8-16-14(13)17-11(2)10-12-6-5-9-20-12/h4-9,11H,3,10H2,1-2H3,(H,16,17)
InChIKeyBCNVXXWGLYIRRB-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate (CID 61042919) is ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC(C)Cc1ccco1.
What is the InChIKey of ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate?
The InChIKey is BCNVXXWGLYIRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-19-15(18)13-7-4-8-16-14(13)17-11(2)10-12-6-5-9-20-12/h4-9,11H,3,10H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate?
ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate is sourced from PubChem (CID 61042919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).