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

C15H22N4O2 — CID 103483887

IUPACN-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(c1=O)CCNC2)NC1CCCCC1
InChIInChI=1S/C15H22N4O2/c20-14(18-11-4-2-1-3-5-11)9-19-10-17-13-8-16-7-6-12(13)15(19)21/h10-11,16H,1-9H2,(H,18,20)
InChIKeyHRIJTCXLQSHOOR-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.34
Rot. Bonds3

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

N-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (PubChem CID 103483887) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
PubChem CID103483887
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(c1=O)CCNC2)NC1CCCCC1
InChIInChI=1S/C15H22N4O2/c20-14(18-11-4-2-1-3-5-11)9-19-10-17-13-8-16-7-6-12(13)15(19)21/h10-11,16H,1-9H2,(H,18,20)
InChIKeyHRIJTCXLQSHOOR-UHFFFAOYSA-N
XLogP0.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N~1~-cyclohexyl-2-[4-oxo-5,6,7,8-tetrahydro-3(4H)-quinazolinyl]acetamide
CID 53014419
2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103483905
7-[2-[4-(Trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 167917439
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
N-cyclohexyl-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 136143907
3-Tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83883373
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
3-Cyclopentyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83888983
N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
CID 95807299
N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
CID 95807301

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide (CID 103483887) is N-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2c(c1=O)CCNC2)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
The InChIKey is HRIJTCXLQSHOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14(18-11-4-2-1-3-5-11)9-19-10-17-13-8-16-7-6-12(13)15(19)21/h10-11,16H,1-9H2,(H,18,20).
What are the key properties of N-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide?
N-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 103483887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).