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

C18H21N7O3S — CID 170981093

IUPACN-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
SMILESCNC(=O)c1ccc(N2CCN(Cc3nc4[nH]c(=O)n(C)c(=O)c4s3)CC2)cn1
InChIInChI=1S/C18H21N7O3S/c1-19-16(26)12-4-3-11(9-20-12)25-7-5-24(6-8-25)10-13-21-15-14(29-13)17(27)23(2)18(28)22-15/h3-4,9H,5-8,10H2,1-2H3,(H,19,26)(H,22,28)
InChIKeyLWBLKNIFDSVYTA-UHFFFAOYSA-N
MW415.48 g/mol
LogP-0.24
Rot. Bonds4

About 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

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 (PubChem CID 170981093) has the molecular formula C18H21N7O3S and a molecular weight of 415.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID170981093
Molecular FormulaC18H21N7O3S
Molecular Weight415.48 g/mol
Exact Mass415.14
IUPAC NameN-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
SMILESCNC(=O)c1ccc(N2CCN(Cc3nc4[nH]c(=O)n(C)c(=O)c4s3)CC2)cn1
InChIInChI=1S/C18H21N7O3S/c1-19-16(26)12-4-3-11(9-20-12)25-7-5-24(6-8-25)10-13-21-15-14(29-13)17(27)23(2)18(28)22-15/h3-4,9H,5-8,10H2,1-2H3,(H,19,26)(H,22,28)
InChIKeyLWBLKNIFDSVYTA-UHFFFAOYSA-N
XLogP-0.24
TPSA116.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-[(6-ethyl-5,7-dioxo-4H-[1,3]oxazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981145
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-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981056
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524582
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
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-[(6-oxo-5,7,8,9-tetrahydrocyclopenta[c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166088928
3-amino-5-[[4-[6-(methylcarbamoyl)-3-pyridinyl]piperazin-1-yl]methyl]pyridine-2-carboxylic acid
CID 169102595
5-[4-[(6-fluoro-4-oxo-5H-furo[2,3-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 172560083
N-methyl-5-[4-[[3-oxo-2-(2,2,2-trifluoroethyl)-4H-quinoxalin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 155586953
5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171812237

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1ccc(N2CCN(Cc3nc4[nH]c(=O)n(C)c(=O)c4s3)CC2)cn1.
What is the InChIKey of 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?
The InChIKey is LWBLKNIFDSVYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3S/c1-19-16(26)12-4-3-11(9-20-12)25-7-5-24(6-8-25)10-13-21-15-14(29-13)17(27)23(2)18(28)22-15/h3-4,9H,5-8,10H2,1-2H3,(H,19,26)(H,22,28).
What are the key properties of 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?
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 has a molecular weight of 415.48 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170981093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).