2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide

C19H28N4O3 — CID 128970020

IUPAC2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1cnc2c(c1=O)CCN(C(C)=O)C2)C1CCCCC1
InChIInChI=1S/C19H28N4O3/c1-3-23(15-7-5-4-6-8-15)18(25)12-22-13-20-17-11-21(14(2)24)10-9-16(17)19(22)26/h13,15H,3-12H2,1-2H3
InChIKeyITGQGVMHRDCARO-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.33
Rot. Bonds4

About 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide

2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide (PubChem CID 128970020) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide
PubChem CID128970020
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1cnc2c(c1=O)CCN(C(C)=O)C2)C1CCCCC1
InChIInChI=1S/C19H28N4O3/c1-3-23(15-7-5-4-6-8-15)18(25)12-22-13-20-17-11-21(14(2)24)10-9-16(17)19(22)26/h13,15H,3-12H2,1-2H3
InChIKeyITGQGVMHRDCARO-UHFFFAOYSA-N
XLogP1.33
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide?
The IUPAC name of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide (CID 128970020) is 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide?
The canonical SMILES for 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide is CCN(C(=O)Cn1cnc2c(c1=O)CCN(C(C)=O)C2)C1CCCCC1.
What is the InChIKey of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide?
The InChIKey is ITGQGVMHRDCARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-23(15-7-5-4-6-8-15)18(25)12-22-13-20-17-11-21(14(2)24)10-9-16(17)19(22)26/h13,15H,3-12H2,1-2H3.
What are the key properties of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide?
2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide has a molecular weight of 360.46 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 128970020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).