4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C19H19N3O2 — CID 47019141

IUPAC4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H19N3O2/c23-18(20-12-6-4-10-15-8-2-1-3-9-15)16-14-21-17-11-5-7-13-22(17)19(16)24/h1-3,5,7-9,11,13-14H,4,6,10,12H2,(H,20,23)
InChIKeyRQEPTMDGKHUVJO-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.45
Rot. Bonds6

About 4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 47019141) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID47019141
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H19N3O2/c23-18(20-12-6-4-10-15-8-2-1-3-9-15)16-14-21-17-11-5-7-13-22(17)19(16)24/h1-3,5,7-9,11,13-14H,4,6,10,12H2,(H,20,23)
InChIKeyRQEPTMDGKHUVJO-UHFFFAOYSA-N
XLogP2.45
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.45
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

N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329870
2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 107832706
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614640
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614989
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-[(1-hydroxycyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111459389
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110885527

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 47019141) is 4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCCCc1ccccc1)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RQEPTMDGKHUVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18(20-12-6-4-10-15-8-2-1-3-9-15)16-14-21-17-11-5-7-13-22(17)19(16)24/h1-3,5,7-9,11,13-14H,4,6,10,12H2,(H,20,23).
What are the key properties of 4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 47019141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).