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

C17H13N5O — CID 122446276

IUPACN-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2ccncc23)cn1
InChIInChI=1S/C17H13N5O/c1-18-17(23)15-4-2-10(8-20-15)13-5-3-11-12-9-19-7-6-14(12)22-16(11)21-13/h2-9H,1H3,(H,18,23)(H,21,22)
InChIKeyDINGZOCGMDSQHE-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.53
Rot. Bonds2

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

N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide (PubChem CID 122446276) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide
PubChem CID122446276
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC NameN-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2ccncc23)cn1
InChIInChI=1S/C17H13N5O/c1-18-17(23)15-4-2-10(8-20-15)13-5-3-11-12-9-19-7-6-14(12)22-16(11)21-13/h2-9H,1H3,(H,18,23)(H,21,22)
InChIKeyDINGZOCGMDSQHE-UHFFFAOYSA-N
XLogP2.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide (CID 122446276) is N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2ccncc23)cn1.
What is the InChIKey of N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide?
The InChIKey is DINGZOCGMDSQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-18-17(23)15-4-2-10(8-20-15)13-5-3-11-12-9-19-7-6-14(12)22-16(11)21-13/h2-9H,1H3,(H,18,23)(H,21,22).
What are the key properties of N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide?
N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide is sourced from PubChem (CID 122446276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).