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

C14H20N4O2 — CID 103483483

IUPACN-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(c1=O)CCNC2)NC1CCCC1
InChIInChI=1S/C14H20N4O2/c19-13(17-10-3-1-2-4-10)8-18-9-16-12-7-15-6-5-11(12)14(18)20/h9-10,15H,1-8H2,(H,17,19)
InChIKeyWVDBAMCQOKZGSM-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.05
Rot. Bonds3

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

N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (PubChem CID 103483483) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
PubChem CID103483483
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(c1=O)CCNC2)NC1CCCC1
InChIInChI=1S/C14H20N4O2/c19-13(17-10-3-1-2-4-10)8-18-9-16-12-7-15-6-5-11(12)14(18)20/h9-10,15H,1-8H2,(H,17,19)
InChIKeyWVDBAMCQOKZGSM-UHFFFAOYSA-N
XLogP-0.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-acetyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 136380778
2-(dimethylamino)-7-D-prolyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136164906
2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103483905
7-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 167969807
N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide
CID 53014418
6-(1-Propanoylpyrrolidine-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 168453077
3-Tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83883373
6-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136652404
3-ethyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480675
3-propyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480676
3-Propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83878477
3-Cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83882528

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (CID 103483483) is N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2c(c1=O)CCNC2)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The InChIKey is WVDBAMCQOKZGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13(17-10-3-1-2-4-10)8-18-9-16-12-7-15-6-5-11(12)14(18)20/h9-10,15H,1-8H2,(H,17,19).
What are the key properties of N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 103483483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).