N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H18FN3O3 — CID 51329870

IUPACN-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCCOc1ccc(F)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H18FN3O3/c20-14-6-8-15(9-7-14)26-12-4-2-10-21-18(24)16-13-22-17-5-1-3-11-23(17)19(16)25/h1,3,5-9,11,13H,2,4,10,12H2,(H,21,24)
InChIKeyMLNZADMMCNNETI-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.42
Rot. Bonds7

About N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51329870) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID51329870
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCCOc1ccc(F)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H18FN3O3/c20-14-6-8-15(9-7-14)26-12-4-2-10-21-18(24)16-13-22-17-5-1-3-11-23(17)19(16)25/h1,3,5-9,11,13H,2,4,10,12H2,(H,21,24)
InChIKeyMLNZADMMCNNETI-UHFFFAOYSA-N
XLogP2.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47019141
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043
2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 107832706
N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131889223
N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614640
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45205475
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120947785
N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46472876

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51329870) is N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCCCOc1ccc(F)cc1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is MLNZADMMCNNETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-14-6-8-15(9-7-14)26-12-4-2-10-21-18(24)16-13-22-17-5-1-3-11-23(17)19(16)25/h1,3,5-9,11,13H,2,4,10,12H2,(H,21,24).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51329870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).