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

C19H17N5O2 — CID 122446311

IUPAC5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(COC)ncc23)cn1
InChIInChI=1S/C19H17N5O2/c1-20-19(25)16-5-3-11(8-22-16)15-6-4-13-14-9-21-12(10-26-2)7-17(14)24-18(13)23-15/h3-9H,10H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyVUBUDSHOEJWHBE-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.68
Rot. Bonds4

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

5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide (PubChem CID 122446311) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide
PubChem CID122446311
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(COC)ncc23)cn1
InChIInChI=1S/C19H17N5O2/c1-20-19(25)16-5-3-11(8-22-16)15-6-4-13-14-9-21-12(10-26-2)7-17(14)24-18(13)23-15/h3-9H,10H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyVUBUDSHOEJWHBE-UHFFFAOYSA-N
XLogP2.68
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide (CID 122446311) is 5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(COC)ncc23)cn1.
What is the InChIKey of 5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is VUBUDSHOEJWHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-20-19(25)16-5-3-11(8-22-16)15-6-4-13-14-9-21-12(10-26-2)7-17(14)24-18(13)23-15/h3-9H,10H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of 5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide?
5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 122446311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).