N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide

C15H19N5O3 — CID 134071493

IUPACN-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CC2CCN(c3cncnc3)C(=O)C2C1
InChIInChI=1S/C15H19N5O3/c1-10(21)18-6-14(22)19-7-11-2-3-20(15(23)13(11)8-19)12-4-16-9-17-5-12/h4-5,9,11,13H,2-3,6-8H2,1H3,(H,18,21)
InChIKeyVBVNFKILWPNTEI-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.58
Rot. Bonds3

About N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide

N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide (PubChem CID 134071493) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide
PubChem CID134071493
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CC2CCN(c3cncnc3)C(=O)C2C1
InChIInChI=1S/C15H19N5O3/c1-10(21)18-6-14(22)19-7-11-2-3-20(15(23)13(11)8-19)12-4-16-9-17-5-12/h4-5,9,11,13H,2-3,6-8H2,1H3,(H,18,21)
InChIKeyVBVNFKILWPNTEI-UHFFFAOYSA-N
XLogP-0.58
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide (CID 134071493) is N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide is CC(=O)NCC(=O)N1CC2CCN(c3cncnc3)C(=O)C2C1.
What is the InChIKey of N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide?
The InChIKey is VBVNFKILWPNTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10(21)18-6-14(22)19-7-11-2-3-20(15(23)13(11)8-19)12-4-16-9-17-5-12/h4-5,9,11,13H,2-3,6-8H2,1H3,(H,18,21).
What are the key properties of N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide?
N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide has a molecular weight of 317.35 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-oxo-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)ethyl]acetamide is sourced from PubChem (CID 134071493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).