ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate

C17H23N3O5 — CID 177153831

IUPACethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate
SMILESCC.CC=C1c2ccoc2C(O)=C(C(=O)NCC(=O)OC)N1/N=C\C
InChIInChI=1S/C15H17N3O5.C2H6/c1-4-10-9-6-7-23-14(9)13(20)12(18(10)17-5-2)15(21)16-8-11(19)22-3;1-2/h4-7,20H,8H2,1-3H3,(H,16,21);1-2H3/b10-4?,17-5-;
InChIKeyNMBRFDDFUMMCHH-MIZUAEINSA-N
MW349.39 g/mol
LogP2.50
Rot. Bonds4

About ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate

ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate (PubChem CID 177153831) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate
PubChem CID177153831
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Nameethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate
SMILESCC.CC=C1c2ccoc2C(O)=C(C(=O)NCC(=O)OC)N1/N=C\C
InChIInChI=1S/C15H17N3O5.C2H6/c1-4-10-9-6-7-23-14(9)13(20)12(18(10)17-5-2)15(21)16-8-11(19)22-3;1-2/h4-7,20H,8H2,1-3H3,(H,16,21);1-2H3/b10-4?,17-5-;
InChIKeyNMBRFDDFUMMCHH-MIZUAEINSA-N
XLogP2.50
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate?
The IUPAC name of ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate (CID 177153831) is ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate.
What is the SMILES notation for ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate?
The canonical SMILES for ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate is CC.CC=C1c2ccoc2C(O)=C(C(=O)NCC(=O)OC)N1/N=C\C.
What is the InChIKey of ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate?
The InChIKey is NMBRFDDFUMMCHH-MIZUAEINSA-N. The full InChI is InChI=1S/C15H17N3O5.C2H6/c1-4-10-9-6-7-23-14(9)13(20)12(18(10)17-5-2)15(21)16-8-11(19)22-3;1-2/h4-7,20H,8H2,1-3H3,(H,16,21);1-2H3/b10-4?,17-5-;.
What are the key properties of ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate?
ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate has a molecular weight of 349.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-[[4-ethylidene-5-[(Z)-ethylideneamino]-7-hydroxyfuro[3,2-c]pyridine-6-carbonyl]amino]acetate is sourced from PubChem (CID 177153831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).