ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate

C19H17N3O4 — CID 53316685

IUPACethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CC/C2=N/O
InChIInChI=1S/C19H17N3O4/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,21,24H,2-3,6H2,1H3/b22-15-
InChIKeyVLZBNNUEXCARSV-JCMHNJIXSA-N
MW351.36 g/mol
LogP3.87
Rot. Bonds4

About ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate

ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate (PubChem CID 53316685) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate
PubChem CID53316685
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Nameethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CC/C2=N/O
InChIInChI=1S/C19H17N3O4/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,21,24H,2-3,6H2,1H3/b22-15-
InChIKeyVLZBNNUEXCARSV-JCMHNJIXSA-N
XLogP3.87
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate with MolForge

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Related Compounds

(NE)-N-[5-[[2-(4-methylphenyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 16045682
Ethyl 3-(5-aminonaphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 16045759
Ethyl 3-(6-fluoro-5-hydroxynaphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 16045761
Ethyl 3-(5-hydroxynaphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 16045839
N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide
CID 53316582
Ethyl 3-(1-oxo-2,3-dihydro-1h-inden-5-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 53317522
3-(1-(hydroxyimino)isoindolin-5-ylamino)-N-isopropylfuro[2,3-c]pyridine-2-carboxamide
CID 53319337
Ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 53319338
(NE)-N-[5-[(2-pyridin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136030631
3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylfuro[2,3-c]pyridine-2-carboxamide
CID 53316581
(NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 53316583
Ethyl 3-(quinolin-3-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 53324616

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate (CID 53316685) is ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CC/C2=N/O.
What is the InChIKey of ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate?
The InChIKey is VLZBNNUEXCARSV-JCMHNJIXSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-25-19(23)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-24/h4-5,7-10,21,24H,2-3,6H2,1H3/b22-15-.
What are the key properties of ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate?
ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 53316685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).