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

C14H22N4O2 — CID 103483585

IUPACN-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C14H22N4O2/c1-4-14(2,3)17-12(19)8-18-9-16-11-7-15-6-5-10(11)13(18)20/h9,15H,4-8H2,1-3H3,(H,17,19)
InChIKeyHTDAYUGWOMJCAZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.19
Rot. Bonds4

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

N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (PubChem CID 103483585) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
PubChem CID103483585
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C14H22N4O2/c1-4-14(2,3)17-12(19)8-18-9-16-11-7-15-6-5-10(11)13(18)20/h9,15H,4-8H2,1-3H3,(H,17,19)
InChIKeyHTDAYUGWOMJCAZ-UHFFFAOYSA-N
XLogP0.19
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (CID 103483585) is N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is CCC(C)(C)NC(=O)Cn1cnc2c(c1=O)CCNC2.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The InChIKey is HTDAYUGWOMJCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-14(2,3)17-12(19)8-18-9-16-11-7-15-6-5-10(11)13(18)20/h9,15H,4-8H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 103483585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).