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

C18H16ClN3O2 — CID 134053942

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C18H16ClN3O2/c1-12(13-6-5-7-14(19)10-13)21(2)17(23)15-11-20-16-8-3-4-9-22(16)18(15)24/h3-12H,1-2H3
InChIKeyFTLPYSADDHQGAF-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.18
Rot. Bonds3

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

N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 134053942) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID134053942
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C18H16ClN3O2/c1-12(13-6-5-7-14(19)10-13)21(2)17(23)15-11-20-16-8-3-4-9-22(16)18(15)24/h3-12H,1-2H3
InChIKeyFTLPYSADDHQGAF-UHFFFAOYSA-N
XLogP3.18
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 134053942) is N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(c1cccc(Cl)c1)N(C)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FTLPYSADDHQGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12(13-6-5-7-14(19)10-13)21(2)17(23)15-11-20-16-8-3-4-9-22(16)18(15)24/h3-12H,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134053942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).