ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate

C23H19N3O3 — CID 2816372

IUPACethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate
SMILESCCOC(=O)c1oc2nc3c(c(-c4cccnc4)c2c1N)CCc1ccccc1-3
InChIInChI=1S/C23H19N3O3/c1-2-28-23(27)21-19(24)18-17(14-7-5-11-25-12-14)16-10-9-13-6-3-4-8-15(13)20(16)26-22(18)29-21/h3-8,11-12H,2,9-10,24H2,1H3
InChIKeyWPDKDQYUTGZMMT-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.41
Rot. Bonds3

About ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate

ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate (PubChem CID 2816372) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate.

Molecular Properties

Compound Nameethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate
PubChem CID2816372
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Nameethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate
SMILESCCOC(=O)c1oc2nc3c(c(-c4cccnc4)c2c1N)CCc1ccccc1-3
InChIInChI=1S/C23H19N3O3/c1-2-28-23(27)21-19(24)18-17(14-7-5-11-25-12-14)16-10-9-13-6-3-4-8-15(13)20(16)26-22(18)29-21/h3-8,11-12H,2,9-10,24H2,1H3
InChIKeyWPDKDQYUTGZMMT-UHFFFAOYSA-N
XLogP4.41
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 705157
Methanone, (1-amino-5-ethyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 1075883
Methanone, (1-amino-8,9-dihydro-8,8-dimethyl-5-propyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 1894276
Ethyl 1-amino-5-(2-methylpropyl)-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carboxylate
CID 1864299
Ethyl 3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinoline-2-carboxylate
CID 1977359
Methanone, (1-amino-5-butyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 1908541
Ethyl 3-amino-6-phenyl-4-(trifluoromethyl)furo(2,3-B)pyridine-2-carboxylate
CID 4457188
Ethyl 6-pyridin-3-yl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
CID 2349735
Methanone, (1-amino-8,9-dihydro-8,8-dimethyl-5-phenyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 3075235
ethyl 3-amino-7,7-dimethyl-7,8-dihydro-5H-furo[2,3-b]pyrano[3,4-e]pyridine-2-carboxylate
CID 666299
Benzamide, N-(2-benzoyl-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-1-yl)-
CID 1399791
Methanone, (1-amino-8,9-dihydro-8,8-dimethyl-5-(phenylmethyl)-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 3075236

Frequently Asked Questions

What is the IUPAC name of ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate?
The IUPAC name of ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate (CID 2816372) is ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate.
What is the SMILES notation for ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate?
The canonical SMILES for ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate is CCOC(=O)c1oc2nc3c(c(-c4cccnc4)c2c1N)CCc1ccccc1-3.
What is the InChIKey of ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate?
The InChIKey is WPDKDQYUTGZMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-2-28-23(27)21-19(24)18-17(14-7-5-11-25-12-14)16-10-9-13-6-3-4-8-15(13)20(16)26-22(18)29-21/h3-8,11-12H,2,9-10,24H2,1H3.
What are the key properties of ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate?
ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 13-amino-11-pyridin-3-yl-15-oxa-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate is sourced from PubChem (CID 2816372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).