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

C21H25N3O2 — CID 51335561

IUPACN-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1cnc2ccccn2c1=O
InChIInChI=1S/C21H25N3O2/c25-19(17-13-23-18-3-1-2-6-24(18)20(17)26)22-5-4-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-3,6,13-16H,4-5,7-12H2,(H,22,25)
InChIKeyHWBWKRCYBMNVTI-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.03
Rot. Bonds4

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

N-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51335561) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID51335561
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1cnc2ccccn2c1=O
InChIInChI=1S/C21H25N3O2/c25-19(17-13-23-18-3-1-2-6-24(18)20(17)26)22-5-4-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-3,6,13-16H,4-5,7-12H2,(H,22,25)
InChIKeyHWBWKRCYBMNVTI-UHFFFAOYSA-N
XLogP3.03
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51335561) is N-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HWBWKRCYBMNVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-19(17-13-23-18-3-1-2-6-24(18)20(17)26)22-5-4-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-3,6,13-16H,4-5,7-12H2,(H,22,25).
What are the key properties of N-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51335561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).