N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide

C16H19N3O2 — CID 18566216

IUPACN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide
SMILESCc1nc2c(C)cccn2c(=O)c1NC(=O)C1CCCC1
InChIInChI=1S/C16H19N3O2/c1-10-6-5-9-19-14(10)17-11(2)13(16(19)21)18-15(20)12-7-3-4-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyXQWDQWACHIHHBR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.44
Rot. Bonds2

About N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide

N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide (PubChem CID 18566216) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide
PubChem CID18566216
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide
SMILESCc1nc2c(C)cccn2c(=O)c1NC(=O)C1CCCC1
InChIInChI=1S/C16H19N3O2/c1-10-6-5-9-19-14(10)17-11(2)13(16(19)21)18-15(20)12-7-3-4-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyXQWDQWACHIHHBR-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-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide (CID 18566216) is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide is Cc1nc2c(C)cccn2c(=O)c1NC(=O)C1CCCC1.
What is the InChIKey of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide?
The InChIKey is XQWDQWACHIHHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-6-5-9-19-14(10)17-11(2)13(16(19)21)18-15(20)12-7-3-4-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,18,20).
What are the key properties of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide?
N-(2,9-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-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 18566216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).