4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide

C19H16N4O2S — CID 126458044

IUPAC4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide
SMILESCc1sc2nc3c(C(=O)NCc4cccnc4)cccn3c(=O)c2c1C
InChIInChI=1S/C19H16N4O2S/c1-11-12(2)26-18-15(11)19(25)23-8-4-6-14(16(23)22-18)17(24)21-10-13-5-3-7-20-9-13/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyAVVMHIOLOWDTJR-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.85
Rot. Bonds3

About 4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide

4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide (PubChem CID 126458044) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide
PubChem CID126458044
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide
SMILESCc1sc2nc3c(C(=O)NCc4cccnc4)cccn3c(=O)c2c1C
InChIInChI=1S/C19H16N4O2S/c1-11-12(2)26-18-15(11)19(25)23-8-4-6-14(16(23)22-18)17(24)21-10-13-5-3-7-20-9-13/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyAVVMHIOLOWDTJR-UHFFFAOYSA-N
XLogP2.85
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide with MolForge

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Related Compounds

9-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 53013788
10-methyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 2158455
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-benzyl-2-[[2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 34931233
6-imino-11-methyl-2-oxo-N-(pyridin-3-ylmethyl)-7-(pyridin-4-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1032982
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
3-ethyl-5-methyl-4-oxo-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23911712
7-hydroxy-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853317
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
3-pyridin-3-yl-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 69004411
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide?
The IUPAC name of 4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide (CID 126458044) is 4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide is Cc1sc2nc3c(C(=O)NCc4cccnc4)cccn3c(=O)c2c1C.
What is the InChIKey of 4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide?
The InChIKey is AVVMHIOLOWDTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-11-12(2)26-18-15(11)19(25)23-8-4-6-14(16(23)22-18)17(24)21-10-13-5-3-7-20-9-13/h3-9H,10H2,1-2H3,(H,21,24).
What are the key properties of 4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide?
4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-10-carboxamide is sourced from PubChem (CID 126458044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).