N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide

C14H20N4O3 — CID 103483597

IUPACN-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(c1=O)CCNC2)NC1CCOCC1
InChIInChI=1S/C14H20N4O3/c19-13(17-10-2-5-21-6-3-10)8-18-9-16-12-7-15-4-1-11(12)14(18)20/h9-10,15H,1-8H2,(H,17,19)
InChIKeyYPYCDGJBOXUWBR-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.82
Rot. Bonds3

About N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide

N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (PubChem CID 103483597) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
PubChem CID103483597
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(c1=O)CCNC2)NC1CCOCC1
InChIInChI=1S/C14H20N4O3/c19-13(17-10-2-5-21-6-3-10)8-18-9-16-12-7-15-4-1-11(12)14(18)20/h9-10,15H,1-8H2,(H,17,19)
InChIKeyYPYCDGJBOXUWBR-UHFFFAOYSA-N
XLogP-0.82
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(2,2,2-Trifluoroethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483587
N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483475
N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483483
3-(2-Oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483484
3-(2-Morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483487
N-(1-methoxypropan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483496
3-(4-Methoxybutyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483530
N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483582
2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-pentan-2-ylacetamide
CID 103483590
2-(4-Oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
CID 103483594
3-(2-Morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483632
2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide
CID 103483635

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (CID 103483597) is N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2c(c1=O)CCNC2)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The InChIKey is YPYCDGJBOXUWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13(17-10-2-5-21-6-3-10)8-18-9-16-12-7-15-4-1-11(12)14(18)20/h9-10,15H,1-8H2,(H,17,19).
What are the key properties of N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide has a molecular weight of 292.34 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 103483597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).