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

C19H20FN3O3 — CID 46977311

IUPACN-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C(=O)NCCCOc2ccccc2F)CC(=O)N2C=CC=CC2=N1
InChIInChI=1S/C19H20FN3O3/c1-19(13-17(24)23-11-5-4-9-16(23)22-19)18(25)21-10-6-12-26-15-8-3-2-7-14(15)20/h2-5,7-9,11H,6,10,12-13H2,1H3,(H,21,25)
InChIKeyBMLZAYUBIJRNRE-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.18
Rot. Bonds6

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

N-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46977311) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID46977311
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C(=O)NCCCOc2ccccc2F)CC(=O)N2C=CC=CC2=N1
InChIInChI=1S/C19H20FN3O3/c1-19(13-17(24)23-11-5-4-9-16(23)22-19)18(25)21-10-6-12-26-15-8-3-2-7-14(15)20/h2-5,7-9,11H,6,10,12-13H2,1H3,(H,21,25)
InChIKeyBMLZAYUBIJRNRE-UHFFFAOYSA-N
XLogP2.18
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 122630851
CID 122630851
CID 46951597
CID 46951597
CID 46951598
CID 46951598
CID 70743131
CID 70743131
CID 70769508
CID 70769508
CID 156601451
CID 156601451
CID 126490228
CID 126490228
CID 16614923
CID 16614923
CID 46951925
CID 46951925
CID 46976395
CID 46976395
CID 51329870
CID 51329870
CID 72026075
CID 72026075

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide (CID 46977311) is N-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide is CC1(C(=O)NCCCOc2ccccc2F)CC(=O)N2C=CC=CC2=N1.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is BMLZAYUBIJRNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-19(13-17(24)23-11-5-4-9-16(23)22-19)18(25)21-10-6-12-26-15-8-3-2-7-14(15)20/h2-5,7-9,11H,6,10,12-13H2,1H3,(H,21,25).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide?
N-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46977311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).