N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H23N3O3 — CID 118776713

IUPACN-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCOCC1(CNC(=O)c2cnc3cccc(C)n3c2=O)CCC1
InChIInChI=1S/C18H23N3O3/c1-3-24-12-18(8-5-9-18)11-20-16(22)14-10-19-15-7-4-6-13(2)21(15)17(14)23/h4,6-7,10H,3,5,8-9,11-12H2,1-2H3,(H,20,22)
InChIKeyCUHZABVLAFJJPR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.94
Rot. Bonds6

About N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 118776713) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID118776713
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCOCC1(CNC(=O)c2cnc3cccc(C)n3c2=O)CCC1
InChIInChI=1S/C18H23N3O3/c1-3-24-12-18(8-5-9-18)11-20-16(22)14-10-19-15-7-4-6-13(2)21(15)17(14)23/h4,6-7,10H,3,5,8-9,11-12H2,1-2H3,(H,20,22)
InChIKeyCUHZABVLAFJJPR-UHFFFAOYSA-N
XLogP1.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
CID 3079295
N-[[1-(ethoxymethyl)cyclobutyl]methyl]-2-methoxypyridine-3-carboxamide
CID 122556668
6-methyl-4-oxo-N-[2-[(3R)-oxolan-3-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 126454044
6-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 118775695
N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide
CID 122558840
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120890519
N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide
CID 122572185
N-(4-cyclohexylphenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 126668398
2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 91774714
N-[(1-hydroxycyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111459389
N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 126425050
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120890762

Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 118776713) is N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCOCC1(CNC(=O)c2cnc3cccc(C)n3c2=O)CCC1.
What is the InChIKey of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CUHZABVLAFJJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-24-12-18(8-5-9-18)11-20-16(22)14-10-19-15-7-4-6-13(2)21(15)17(14)23/h4,6-7,10H,3,5,8-9,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethoxymethyl)cyclobutyl]methyl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118776713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).