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

C17H14N6O — CID 122446303

IUPAC6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc3c(n2)[nH]c2ccncc23)cn1
InChIInChI=1S/C17H14N6O/c1-18-14-4-2-10(8-20-14)17(24)23-15-5-3-11-12-9-19-7-6-13(12)21-16(11)22-15/h2-9H,1H3,(H,18,20)(H2,21,22,23,24)
InChIKeyOUTRYRUWYZKEHF-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.80
Rot. Bonds3

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

6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide (PubChem CID 122446303) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide
PubChem CID122446303
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2ccc3c(n2)[nH]c2ccncc23)cn1
InChIInChI=1S/C17H14N6O/c1-18-14-4-2-10(8-20-14)17(24)23-15-5-3-11-12-9-19-7-6-13(12)21-16(11)22-15/h2-9H,1H3,(H,18,20)(H2,21,22,23,24)
InChIKeyOUTRYRUWYZKEHF-UHFFFAOYSA-N
XLogP2.80
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide (CID 122446303) is 6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide is CNc1ccc(C(=O)Nc2ccc3c(n2)[nH]c2ccncc23)cn1.
What is the InChIKey of 6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide?
The InChIKey is OUTRYRUWYZKEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-18-14-4-2-10(8-20-14)17(24)23-15-5-3-11-12-9-19-7-6-13(12)21-16(11)22-15/h2-9H,1H3,(H,18,20)(H2,21,22,23,24).
What are the key properties of 6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide?
6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-3-carboxamide is sourced from PubChem (CID 122446303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).