6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide

C18H15N5O2 — CID 122446278

IUPAC6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(OC)ncc23)nc1
InChIInChI=1S/C18H15N5O2/c1-19-18(24)10-3-5-13(20-8-10)14-6-4-11-12-9-21-16(25-2)7-15(12)23-17(11)22-14/h3-9H,1-2H3,(H,19,24)(H,22,23)
InChIKeyMFKBDJBBFKJRDS-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.54
Rot. Bonds3

About 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide

6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide (PubChem CID 122446278) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide
PubChem CID122446278
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(OC)ncc23)nc1
InChIInChI=1S/C18H15N5O2/c1-19-18(24)10-3-5-13(20-8-10)14-6-4-11-12-9-21-16(25-2)7-15(12)23-17(11)22-14/h3-9H,1-2H3,(H,19,24)(H,22,23)
InChIKeyMFKBDJBBFKJRDS-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 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide (CID 122446278) is 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(OC)ncc23)nc1.
What is the InChIKey of 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is MFKBDJBBFKJRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-19-18(24)10-3-5-13(20-8-10)14-6-4-11-12-9-21-16(25-2)7-15(12)23-17(11)22-14/h3-9H,1-2H3,(H,19,24)(H,22,23).
What are the key properties of 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide?
6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-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 6-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 122446278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).