N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C21H25N3O2 — CID 16620933

IUPACN-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccccn2c1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H25N3O2/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)23-19(25)17-12-22-18-4-2-3-5-24(18)20(17)26/h2-5,12-16H,6-11H2,1H3,(H,23,25)
InChIKeyWZCRQAICPHXTJA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.03
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16620933) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID16620933
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccccn2c1=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H25N3O2/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)23-19(25)17-12-22-18-4-2-3-5-24(18)20(17)26/h2-5,12-16H,6-11H2,1H3,(H,23,25)
InChIKeyWZCRQAICPHXTJA-UHFFFAOYSA-N
XLogP3.03
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 16620933) is N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(NC(=O)c1cnc2ccccn2c1=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WZCRQAICPHXTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)23-19(25)17-12-22-18-4-2-3-5-24(18)20(17)26/h2-5,12-16H,6-11H2,1H3,(H,23,25).
What are the key properties of N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16620933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).