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

C19H23N7O4 — CID 170981145

IUPAC5-[4-[(6-ethyl-5,7-dioxo-4H-[1,3]oxazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCn1c(=O)[nH]c2nc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)oc2c1=O
InChIInChI=1S/C19H23N7O4/c1-3-26-18(28)15-16(23-19(26)29)22-14(30-15)11-24-6-8-25(9-7-24)12-4-5-13(21-10-12)17(27)20-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,20,27)(H,23,29)
InChIKeyFGINREWCHPZOBI-UHFFFAOYSA-N
MW413.44 g/mol
LogP-0.23
Rot. Bonds5

About 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

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 (PubChem CID 170981145) has the molecular formula C19H23N7O4 and a molecular weight of 413.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[4-[(6-ethyl-5,7-dioxo-4H-[1,3]oxazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID170981145
Molecular FormulaC19H23N7O4
Molecular Weight413.44 g/mol
Exact Mass413.18
IUPAC Name5-[4-[(6-ethyl-5,7-dioxo-4H-[1,3]oxazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCn1c(=O)[nH]c2nc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)oc2c1=O
InChIInChI=1S/C19H23N7O4/c1-3-26-18(28)15-16(23-19(26)29)22-14(30-15)11-24-6-8-25(9-7-24)12-4-5-13(21-10-12)17(27)20-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,20,27)(H,23,29)
InChIKeyFGINREWCHPZOBI-UHFFFAOYSA-N
XLogP-0.23
TPSA129.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 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-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)-methylamino]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981554
5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981022
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
5-[(2S)-4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981529
5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981056
5-[5-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 168900152
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-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524582
5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169189739
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(=O)[nH]c2nc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)oc2c1=O.
What is the InChIKey of 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?
The InChIKey is FGINREWCHPZOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O4/c1-3-26-18(28)15-16(23-19(26)29)22-14(30-15)11-24-6-8-25(9-7-24)12-4-5-13(21-10-12)17(27)20-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,20,27)(H,23,29).
What are the key properties of 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?
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 has a molecular weight of 413.44 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170981145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).