12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide

C16H15N7OS — CID 11394062

IUPAC12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
SMILESCNc1nc2sc(C(=O)NCc3ccccn3)nc2c2c1ncn2C
InChIInChI=1S/C16H15N7OS/c1-17-13-10-12(23(2)8-20-10)11-15(22-13)25-16(21-11)14(24)19-7-9-5-3-4-6-18-9/h3-6,8H,7H2,1-2H3,(H,17,22)(H,19,24)
InChIKeyPHHYDNGWHNZSQP-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.94
Rot. Bonds4

About 12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide

12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide (PubChem CID 11394062) has the molecular formula C16H15N7OS and a molecular weight of 353.41 g/mol. Its IUPAC name is 12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide.

Molecular Properties

Compound Name12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
PubChem CID11394062
Molecular FormulaC16H15N7OS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC Name12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
SMILESCNc1nc2sc(C(=O)NCc3ccccn3)nc2c2c1ncn2C
InChIInChI=1S/C16H15N7OS/c1-17-13-10-12(23(2)8-20-10)11-15(22-13)25-16(21-11)14(24)19-7-9-5-3-4-6-18-9/h3-6,8H,7H2,1-2H3,(H,17,22)(H,19,24)
InChIKeyPHHYDNGWHNZSQP-UHFFFAOYSA-N
XLogP1.94
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
The IUPAC name of 12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide (CID 11394062) is 12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide.
What is the SMILES notation for 12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
The canonical SMILES for 12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide is CNc1nc2sc(C(=O)NCc3ccccn3)nc2c2c1ncn2C.
What is the InChIKey of 12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
The InChIKey is PHHYDNGWHNZSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7OS/c1-17-13-10-12(23(2)8-20-10)11-15(22-13)25-16(21-11)14(24)19-7-9-5-3-4-6-18-9/h3-6,8H,7H2,1-2H3,(H,17,22)(H,19,24).
What are the key properties of 12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide?
12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide is sourced from PubChem (CID 11394062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).