N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide

C17H24FN5O2S — CID 163974700

IUPACN-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(C2(C)CS3(=O)=NCCCCC3(C)C(N)=N2)n1
InChIInChI=1S/C17H24FN5O2S/c1-11(24)21-13-7-6-12(18)14(22-13)16(2)10-26(25)17(3,15(19)23-16)8-4-5-9-20-26/h6-7H,4-5,8-10H2,1-3H3,(H2,19,23)(H,21,22,24)
InChIKeySTBUVPLUTQUBOG-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.18
Rot. Bonds2

About N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide

N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide (PubChem CID 163974700) has the molecular formula C17H24FN5O2S and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide
PubChem CID163974700
Molecular FormulaC17H24FN5O2S
Molecular Weight381.48 g/mol
Exact Mass381.16
IUPAC NameN-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(C2(C)CS3(=O)=NCCCCC3(C)C(N)=N2)n1
InChIInChI=1S/C17H24FN5O2S/c1-11(24)21-13-7-6-12(18)14(22-13)16(2)10-26(25)17(3,15(19)23-16)8-4-5-9-20-26/h6-7H,4-5,8-10H2,1-3H3,(H2,19,23)(H,21,22,24)
InChIKeySTBUVPLUTQUBOG-UHFFFAOYSA-N
XLogP2.18
TPSA109.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[6-[(1R,6R,9R)-7-amino-6,9-dimethyl-1-oxo-1λ6-thia-2,8-diazabicyclo[4.4.0]deca-1,7-dien-9-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 121329765
N-[6-(7-amino-6,9-dimethyl-1-oxo-1λ6-thia-2,8-diazabicyclo[4.4.0]deca-1,7-dien-9-yl)-5-fluoro-2-pyridinyl]-5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxamide
CID 121329796
1-[6-(7-amino-6,9-dimethyl-1-oxo-1λ6-thia-2,8-diazabicyclo[4.4.0]deca-1,7-dien-9-yl)-5-fluoro-2-pyridinyl]-5-cyano-3-methyl-2H-pyridine-2-carboxamide
CID 121320644
tert-butyl N-[(1S,10R)-10-(6-amino-3-fluoro-2-pyridinyl)-10-methyl-1-oxo-1λ6-thia-2,7,9-triazabicyclo[5.4.0]undeca-1,8-dien-8-yl]carbamate
CID 118687982
tert-butyl N-[(1S,10S)-10-[6-[(5-cyanopyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-10-methyl-1-oxo-1λ6-thia-2,7,9-triazabicyclo[5.5.0]dodeca-1,8-dien-8-yl]carbamate
CID 146260638
N-[6-[(1S,6S,7R)-9-amino-7,10,10-trimethyl-1-oxo-1λ6-thia-2,8-diazabicyclo[4.4.0]deca-1,8-dien-7-yl]-5-fluoro-2-pyridinyl]-5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxamide
CID 121278428
[5-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
CID 118936386
5-(6-bromo-3-fluoro-2-pyridinyl)-5-methyl-7λ6-thia-2,4,8-triazatricyclo[5.5.0.01,3]dodeca-2,7-diene 7-oxide
CID 121329832
N-[6-[(1R,10S)-8-amino-10-(fluoromethyl)-1-oxo-1λ6-thia-2,7,9-triazabicyclo[5.4.0]undeca-1,8-dien-10-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 135205776
N-[6-[(1S,5R,6R)-3-amino-2,2,5-trimethyl-1-oxo-1λ6-thia-4,9-diazabicyclo[4.3.0]nona-1(9),3-dien-5-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)pyrazine-2-carboxamide
CID 121278481
N-[N-[(E)-1-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-2-fluoroprop-1-enyl]-C-ethenylcarbonimidoyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 137246318
N-[6-[(5R,6S)-3-amino-2,2,5-trimethyl-1-oxo-1λ6-thia-4,9-diazabicyclo[4.3.0]nona-1(9),3-dien-5-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 145058770

Frequently Asked Questions

What is the IUPAC name of N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide?
The IUPAC name of N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide (CID 163974700) is N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide is CC(=O)Nc1ccc(F)c(C2(C)CS3(=O)=NCCCCC3(C)C(N)=N2)n1.
What is the InChIKey of N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide?
The InChIKey is STBUVPLUTQUBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O2S/c1-11(24)21-13-7-6-12(18)14(22-13)16(2)10-26(25)17(3,15(19)23-16)8-4-5-9-20-26/h6-7H,4-5,8-10H2,1-3H3,(H2,19,23)(H,21,22,24).
What are the key properties of N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide?
N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(8-amino-7,10-dimethyl-1-oxo-1λ6-thia-2,9-diazabicyclo[5.4.0]undeca-1,8-dien-10-yl)-5-fluoro-2-pyridinyl]acetamide is sourced from PubChem (CID 163974700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).