N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H23N3O2 — CID 75422235

IUPACN-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C17H23N3O2/c1-5-17(6-2,7-3)19-15(21)13-11-18-14-10-12(4)8-9-20(14)16(13)22/h8-11H,5-7H2,1-4H3,(H,19,21)
InChIKeyABQWJGDCQPCKJV-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.70
Rot. Bonds5

About N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 75422235) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID75422235
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C17H23N3O2/c1-5-17(6-2,7-3)19-15(21)13-11-18-14-10-12(4)8-9-20(14)16(13)22/h8-11H,5-7H2,1-4H3,(H,19,21)
InChIKeyABQWJGDCQPCKJV-UHFFFAOYSA-N
XLogP2.70
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 75422235) is N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC(CC)(CC)NC(=O)c1cnc2cc(C)ccn2c1=O.
What is the InChIKey of N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ABQWJGDCQPCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-17(6-2,7-3)19-15(21)13-11-18-14-10-12(4)8-9-20(14)16(13)22/h8-11H,5-7H2,1-4H3,(H,19,21).
What are the key properties of N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 75422235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).