N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide

C22H24N4O5S — CID 169147120

IUPACN-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide
SMILESCn1ccc(CNC(=O)c2cc3cccc4c3n(c2=O)CCN4CCS(C)(=O)=O)cc1=O
InChIInChI=1S/C22H24N4O5S/c1-24-7-6-15(12-19(24)27)14-23-21(28)17-13-16-4-3-5-18-20(16)26(22(17)29)9-8-25(18)10-11-32(2,30)31/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,28)
InChIKeyGABFOZQPGZYZPC-UHFFFAOYSA-N
MW456.52 g/mol
LogP0.49
Rot. Bonds6

About N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide

N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide (PubChem CID 169147120) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide
PubChem CID169147120
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide
SMILESCn1ccc(CNC(=O)c2cc3cccc4c3n(c2=O)CCN4CCS(C)(=O)=O)cc1=O
InChIInChI=1S/C22H24N4O5S/c1-24-7-6-15(12-19(24)27)14-23-21(28)17-13-16-4-3-5-18-20(16)26(22(17)29)9-8-25(18)10-11-32(2,30)31/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,28)
InChIKeyGABFOZQPGZYZPC-UHFFFAOYSA-N
XLogP0.49
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide
CID 169147690
1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 70680204
N-[(3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103612084
N-[(4-chlorophenyl)methyl]-9-formyl-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 150706609
N-[(3-methoxyphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35676429
2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 159219345
1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide
CID 166984539
N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 150373435
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 60535333
N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 146441876
N-[(3-methylphenyl)methyl]-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
CID 20916312
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103747290

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide (CID 169147120) is N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide is Cn1ccc(CNC(=O)c2cc3cccc4c3n(c2=O)CCN4CCS(C)(=O)=O)cc1=O.
What is the InChIKey of N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide?
The InChIKey is GABFOZQPGZYZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-24-7-6-15(12-19(24)27)14-23-21(28)17-13-16-4-3-5-18-20(16)26(22(17)29)9-8-25(18)10-11-32(2,30)31/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,28).
What are the key properties of N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide?
N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide is sourced from PubChem (CID 169147120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).