N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H19N3O2 — CID 16620850

IUPACN-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H19N3O2/c20-15(18-12-7-3-1-2-4-8-12)13-11-17-14-9-5-6-10-19(14)16(13)21/h5-6,9-12H,1-4,7-8H2,(H,18,20)
InChIKeyRGPDVYLYJUITMO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.15
Rot. Bonds2

About N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16620850) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID16620850
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H19N3O2/c20-15(18-12-7-3-1-2-4-8-12)13-11-17-14-9-5-6-10-19(14)16(13)21/h5-6,9-12H,1-4,7-8H2,(H,18,20)
InChIKeyRGPDVYLYJUITMO-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 16620850) is N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCCCCC1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RGPDVYLYJUITMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(18-12-7-3-1-2-4-8-12)13-11-17-14-9-5-6-10-19(14)16(13)21/h5-6,9-12H,1-4,7-8H2,(H,18,20).
What are the key properties of N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16620850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).