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

C17H13N5O2 — CID 164614441

IUPACN-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide
SMILESCOc1ccc(NC(=O)c2ccn3c(c2)nc2ncccc23)cn1
InChIInChI=1S/C17H13N5O2/c1-24-15-5-4-12(10-19-15)20-17(23)11-6-8-22-13-3-2-7-18-16(13)21-14(22)9-11/h2-10H,1H3,(H,20,23)
InChIKeyCKTNOPGMIPJJGX-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.54
Rot. Bonds3

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

N-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide (PubChem CID 164614441) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide
PubChem CID164614441
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC NameN-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide
SMILESCOc1ccc(NC(=O)c2ccn3c(c2)nc2ncccc23)cn1
InChIInChI=1S/C17H13N5O2/c1-24-15-5-4-12(10-19-15)20-17(23)11-6-8-22-13-3-2-7-18-16(13)21-14(22)9-11/h2-10H,1H3,(H,20,23)
InChIKeyCKTNOPGMIPJJGX-UHFFFAOYSA-N
XLogP2.54
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide (CID 164614441) is N-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide is COc1ccc(NC(=O)c2ccn3c(c2)nc2ncccc23)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide?
The InChIKey is CKTNOPGMIPJJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-24-15-5-4-12(10-19-15)20-17(23)11-6-8-22-13-3-2-7-18-16(13)21-14(22)9-11/h2-10H,1H3,(H,20,23).
What are the key properties of N-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide?
N-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.54, 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)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide is sourced from PubChem (CID 164614441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).