N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide

C19H20FN3O3 — CID 46951925

IUPACN-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C1(C)CC(=O)N2C=CC=CC2=N1
InChIInChI=1S/C19H20FN3O3/c1-19(13-17(24)23-10-4-3-5-16(23)21-19)18(25)22(2)11-12-26-15-8-6-14(20)7-9-15/h3-10H,11-13H2,1-2H3
InChIKeyGRGBYRSZFNIWAC-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.14
Rot. Bonds5

About N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46951925) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID46951925
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C1(C)CC(=O)N2C=CC=CC2=N1
InChIInChI=1S/C19H20FN3O3/c1-19(13-17(24)23-10-4-3-5-16(23)21-19)18(25)22(2)11-12-26-15-8-6-14(20)7-9-15/h3-10H,11-13H2,1-2H3
InChIKeyGRGBYRSZFNIWAC-UHFFFAOYSA-N
XLogP2.14
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide (CID 46951925) is N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide is CN(CCOc1ccc(F)cc1)C(=O)C1(C)CC(=O)N2C=CC=CC2=N1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is GRGBYRSZFNIWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-19(13-17(24)23-10-4-3-5-16(23)21-19)18(25)22(2)11-12-26-15-8-6-14(20)7-9-15/h3-10H,11-13H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46951925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).