N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C22H24N6O2S — CID 176656755

IUPACN-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4c([nH]c(=O)c5c(C)ccn54)s3)CC2)cn1
InChIInChI=1S/C22H24N6O2S/c1-14-5-6-28-18-11-16(31-22(18)25-21(30)19(14)28)13-26-7-9-27(10-8-26)15-3-4-17(24-12-15)20(29)23-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,29)(H,25,30)
InChIKeyIQIDOVURHKUGGT-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.23
Rot. Bonds4

About N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 176656755) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID176656755
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC NameN-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4c([nH]c(=O)c5c(C)ccn54)s3)CC2)cn1
InChIInChI=1S/C22H24N6O2S/c1-14-5-6-28-18-11-16(31-22(18)25-21(30)19(14)28)13-26-7-9-27(10-8-26)15-3-4-17(24-12-15)20(29)23-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,29)(H,25,30)
InChIKeyIQIDOVURHKUGGT-UHFFFAOYSA-N
XLogP2.23
TPSA85.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

5-[4-[(2,4-dioxo-1H-thieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981704
5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572861
N-methyl-5-[4-[(6-oxo-5,7,8,9-tetrahydrocyclopenta[c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166088928
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524582
5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981056
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
N-methyl-5-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189557
N-methyl-5-[4-[(6-methyl-5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 170981093
3-amino-5-[[4-[6-(methylcarbamoyl)-3-pyridinyl]piperazin-1-yl]methyl]pyridine-2-carboxylic acid
CID 169102595
5-[4-[(6-ethyl-5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981491
5-[4-[(9-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982766
N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171484069

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 176656755) is N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cc4c([nH]c(=O)c5c(C)ccn54)s3)CC2)cn1.
What is the InChIKey of N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is IQIDOVURHKUGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-14-5-6-28-18-11-16(31-22(18)25-21(30)19(14)28)13-26-7-9-27(10-8-26)15-3-4-17(24-12-15)20(29)23-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,29)(H,25,30).
What are the key properties of N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[(10-methyl-8-oxo-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-4-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176656755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).