2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide

C17H21N3O2 — CID 16799376

IUPAC2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
SMILESCc1ccn2c(=O)c(NC(=O)CC3CCCC3)c(C)nc2c1
InChIInChI=1S/C17H21N3O2/c1-11-7-8-20-14(9-11)18-12(2)16(17(20)22)19-15(21)10-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,19,21)
InChIKeySZAQUHBDTQZFLU-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.83
Rot. Bonds3

About 2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide

2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16799376) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
PubChem CID16799376
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
SMILESCc1ccn2c(=O)c(NC(=O)CC3CCCC3)c(C)nc2c1
InChIInChI=1S/C17H21N3O2/c1-11-7-8-20-14(9-11)18-12(2)16(17(20)22)19-15(21)10-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,19,21)
InChIKeySZAQUHBDTQZFLU-UHFFFAOYSA-N
XLogP2.83
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of 2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide (CID 16799376) is 2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide is Cc1ccn2c(=O)c(NC(=O)CC3CCCC3)c(C)nc2c1.
What is the InChIKey of 2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is SZAQUHBDTQZFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-7-8-20-14(9-11)18-12(2)16(17(20)22)19-15(21)10-13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,19,21).
What are the key properties of 2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16799376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).