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

C16H19N3O2 — CID 16799387

IUPACN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide
SMILESCc1ccn2c(=O)c(NC(=O)C3CCCC3)c(C)nc2c1
InChIInChI=1S/C16H19N3O2/c1-10-7-8-19-13(9-10)17-11(2)14(16(19)21)18-15(20)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,18,20)
InChIKeyWELUEHASBBKELX-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.44
Rot. Bonds2

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

N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide (PubChem CID 16799387) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide
PubChem CID16799387
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide
SMILESCc1ccn2c(=O)c(NC(=O)C3CCCC3)c(C)nc2c1
InChIInChI=1S/C16H19N3O2/c1-10-7-8-19-13(9-10)17-11(2)14(16(19)21)18-15(20)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,18,20)
InChIKeyWELUEHASBBKELX-UHFFFAOYSA-N
XLogP2.44
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide (CID 16799387) is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide is Cc1ccn2c(=O)c(NC(=O)C3CCCC3)c(C)nc2c1.
What is the InChIKey of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide?
The InChIKey is WELUEHASBBKELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-7-8-19-13(9-10)17-11(2)14(16(19)21)18-15(20)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,18,20).
What are the key properties of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide?
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 16799387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).