N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide

C17H12N4O3 — CID 164625079

IUPACN-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(n2)oc2ccncc23)cn1
InChIInChI=1S/C17H12N4O3/c1-23-15-5-2-10(8-19-15)20-16(22)13-4-3-11-12-9-18-7-6-14(12)24-17(11)21-13/h2-9H,1H3,(H,20,22)
InChIKeyYHFFQMUNWQPCLP-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.03
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide

N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide (PubChem CID 164625079) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide
PubChem CID164625079
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC NameN-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(n2)oc2ccncc23)cn1
InChIInChI=1S/C17H12N4O3/c1-23-15-5-2-10(8-19-15)20-16(22)13-4-3-11-12-9-18-7-6-14(12)24-17(11)21-13/h2-9H,1H3,(H,20,22)
InChIKeyYHFFQMUNWQPCLP-UHFFFAOYSA-N
XLogP3.03
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide (CID 164625079) is N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide is COc1ccc(NC(=O)c2ccc3c(n2)oc2ccncc23)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide?
The InChIKey is YHFFQMUNWQPCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c1-23-15-5-2-10(8-19-15)20-16(22)13-4-3-11-12-9-18-7-6-14(12)24-17(11)21-13/h2-9H,1H3,(H,20,22).
What are the key properties of N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide?
N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide is sourced from PubChem (CID 164625079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).