ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate

C19H17N3O5 — CID 6324438

IUPACethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C12C(=O)Nc1ccccc12
InChIInChI=1S/C19H17N3O5/c1-3-26-17(24)14-15(20)27-12-8-9(2)21-16(23)13(12)19(14)10-6-4-5-7-11(10)22-18(19)25/h4-8H,3,20H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyJSTJZCJVDJCWHA-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.05
Rot. Bonds2

About ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate

ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate (PubChem CID 6324438) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate
PubChem CID6324438
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Nameethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C12C(=O)Nc1ccccc12
InChIInChI=1S/C19H17N3O5/c1-3-26-17(24)14-15(20)27-12-8-9(2)21-16(23)13(12)19(14)10-6-4-5-7-11(10)22-18(19)25/h4-8H,3,20H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyJSTJZCJVDJCWHA-UHFFFAOYSA-N
XLogP1.05
TPSA123.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate?
The IUPAC name of ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate (CID 6324438) is ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate.
What is the SMILES notation for ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate?
The canonical SMILES for ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate is CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate?
The InChIKey is JSTJZCJVDJCWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-3-26-17(24)14-15(20)27-12-8-9(2)21-16(23)13(12)19(14)10-6-4-5-7-11(10)22-18(19)25/h4-8H,3,20H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate?
ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate has a molecular weight of 367.36 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-6H-pyrano[3,2-c]pyridine]-3'-carboxylate is sourced from PubChem (CID 6324438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).