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

C20H27N3O2 — CID 126668400

IUPACN-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCC1CCC(NC(=O)c2cnc3cccc(C)n3c2=O)CC1
InChIInChI=1S/C20H27N3O2/c1-3-4-7-15-9-11-16(12-10-15)22-19(24)17-13-21-18-8-5-6-14(2)23(18)20(17)25/h5-6,8,13,15-16H,3-4,7,9-12H2,1-2H3,(H,22,24)
InChIKeyOEUVESZHZMGQHJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.48
Rot. Bonds5

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

N-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 126668400) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID126668400
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCC1CCC(NC(=O)c2cnc3cccc(C)n3c2=O)CC1
InChIInChI=1S/C20H27N3O2/c1-3-4-7-15-9-11-16(12-10-15)22-19(24)17-13-21-18-8-5-6-14(2)23(18)20(17)25/h5-6,8,13,15-16H,3-4,7,9-12H2,1-2H3,(H,22,24)
InChIKeyOEUVESZHZMGQHJ-UHFFFAOYSA-N
XLogP3.48
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 126668400) is N-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCC1CCC(NC(=O)c2cnc3cccc(C)n3c2=O)CC1.
What is the InChIKey of N-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OEUVESZHZMGQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-4-7-15-9-11-16(12-10-15)22-19(24)17-13-21-18-8-5-6-14(2)23(18)20(17)25/h5-6,8,13,15-16H,3-4,7,9-12H2,1-2H3,(H,22,24).
What are the key properties of N-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126668400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).