10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide

C17H19N7O5S — CID 142400181

IUPAC10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide
SMILESCN(C)C(=O)C1c2c(c(C(=O)Nc3cccnc3)nn2C)C2CN1C(=O)N2OSO
InChIInChI=1S/C17H19N7O5S/c1-21(2)16(26)14-13-11(10-8-23(14)17(27)24(10)29-30-28)12(20-22(13)3)15(25)19-9-5-4-6-18-7-9/h4-7,10,14,28H,8H2,1-3H3,(H,19,25)
InChIKeyVOFVXIBKWUXEJL-UHFFFAOYSA-N
MW433.45 g/mol
LogP1.04
Rot. Bonds5

About 10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide

10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide (PubChem CID 142400181) has the molecular formula C17H19N7O5S and a molecular weight of 433.45 g/mol. Its IUPAC name is 10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide.

Molecular Properties

Compound Name10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide
PubChem CID142400181
Molecular FormulaC17H19N7O5S
Molecular Weight433.45 g/mol
Exact Mass433.12
IUPAC Name10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide
SMILESCN(C)C(=O)C1c2c(c(C(=O)Nc3cccnc3)nn2C)C2CN1C(=O)N2OSO
InChIInChI=1S/C17H19N7O5S/c1-21(2)16(26)14-13-11(10-8-23(14)17(27)24(10)29-30-28)12(20-22(13)3)15(25)19-9-5-4-6-18-7-9/h4-7,10,14,28H,8H2,1-3H3,(H,19,25)
InChIKeyVOFVXIBKWUXEJL-UHFFFAOYSA-N
XLogP1.04
TPSA133.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide with MolForge

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Related Compounds

[7-(dimethylcarbamoyl)-5-methyl-9-oxo-3-(pyridin-3-ylmethylcarbamoyl)-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] hydrogen sulfate
CID 135213845
[7-(dimethylcarbamoyl)-3-[(1,2-dimethylpyrazol-1-ium-3-yl)carbamoyl]-5-methyl-9-oxo-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-10-yl] sulfate
CID 135213719
1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 6625709
1-methyl-N-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585468
1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide
CID 56943631
N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide
CID 95815582
6-N-(cyclopropylmethyl)-1-N-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid
CID 155873568
6-N-propan-2-yl-1-N-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155871980
4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
(3S)-1-(2-methoxyethyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 94046070
1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea
CID 24657988

Frequently Asked Questions

What is the IUPAC name of 10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide?
The IUPAC name of 10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide (CID 142400181) is 10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide.
What is the SMILES notation for 10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide?
The canonical SMILES for 10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide is CN(C)C(=O)C1c2c(c(C(=O)Nc3cccnc3)nn2C)C2CN1C(=O)N2OSO.
What is the InChIKey of 10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide?
The InChIKey is VOFVXIBKWUXEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O5S/c1-21(2)16(26)14-13-11(10-8-23(14)17(27)24(10)29-30-28)12(20-22(13)3)15(25)19-9-5-4-6-18-7-9/h4-7,10,14,28H,8H2,1-3H3,(H,19,25).
What are the key properties of 10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide?
10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide has a molecular weight of 433.45 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxysulfanyloxy-7-N,7-N,5-trimethyl-9-oxo-3-N-pyridin-3-yl-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3,7-dicarboxamide is sourced from PubChem (CID 142400181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).