5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide

C18H15N5O2 — CID 122446277

IUPAC5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(OC)ncc23)cn1
InChIInChI=1S/C18H15N5O2/c1-19-18(24)14-5-3-10(8-20-14)13-6-4-11-12-9-21-16(25-2)7-15(12)23-17(11)22-13/h3-9H,1-2H3,(H,19,24)(H,22,23)
InChIKeyKWUJWLLUODRIBI-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.54
Rot. Bonds3

About 5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide

5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide (PubChem CID 122446277) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide
PubChem CID122446277
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(OC)ncc23)cn1
InChIInChI=1S/C18H15N5O2/c1-19-18(24)14-5-3-10(8-20-14)13-6-4-11-12-9-21-16(25-2)7-15(12)23-17(11)22-13/h3-9H,1-2H3,(H,19,24)(H,22,23)
InChIKeyKWUJWLLUODRIBI-UHFFFAOYSA-N
XLogP2.54
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide (CID 122446277) is 5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(OC)ncc23)cn1.
What is the InChIKey of 5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is KWUJWLLUODRIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-19-18(24)14-5-3-10(8-20-14)13-6-4-11-12-9-21-16(25-2)7-15(12)23-17(11)22-13/h3-9H,1-2H3,(H,19,24)(H,22,23).
What are the key properties of 5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide?
5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 122446277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).