15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide

C20H13N3O3 — CID 14459977

IUPAC15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide
SMILESO=C(Nc1ccccn1)C1C(=O)N2c3ccccc3Oc3cccc1c32
InChIInChI=1S/C20H13N3O3/c24-19(22-16-10-3-4-11-21-16)17-12-6-5-9-15-18(12)23(20(17)25)13-7-1-2-8-14(13)26-15/h1-11,17H,(H,21,22,24)
InChIKeyPNZFVYZPJVAKBP-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.59
Rot. Bonds2

About 15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide

15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide (PubChem CID 14459977) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide.

Molecular Properties

Compound Name15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide
PubChem CID14459977
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide
SMILESO=C(Nc1ccccn1)C1C(=O)N2c3ccccc3Oc3cccc1c32
InChIInChI=1S/C20H13N3O3/c24-19(22-16-10-3-4-11-21-16)17-12-6-5-9-15-18(12)23(20(17)25)13-7-1-2-8-14(13)26-15/h1-11,17H,(H,21,22,24)
InChIKeyPNZFVYZPJVAKBP-UHFFFAOYSA-N
XLogP3.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide?
The IUPAC name of 15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide (CID 14459977) is 15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide.
What is the SMILES notation for 15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide?
The canonical SMILES for 15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide is O=C(Nc1ccccn1)C1C(=O)N2c3ccccc3Oc3cccc1c32.
What is the InChIKey of 15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide?
The InChIKey is PNZFVYZPJVAKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3/c24-19(22-16-10-3-4-11-21-16)17-12-6-5-9-15-18(12)23(20(17)25)13-7-1-2-8-14(13)26-15/h1-11,17H,(H,21,22,24).
What are the key properties of 15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide?
15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxo-N-pyridin-2-yl-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide is sourced from PubChem (CID 14459977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).