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

C20H19N3O2 — CID 16614989

IUPAC4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C20H19N3O2/c24-18(16-13-21-17-9-4-5-12-23(17)19(16)25)22-14-20(10-6-11-20)15-7-2-1-3-8-15/h1-5,7-9,12-13H,6,10-11,14H2,(H,22,24)
InChIKeyFLBSLFWONVEMGJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.55
Rot. Bonds4

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

4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16614989) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID16614989
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C20H19N3O2/c24-18(16-13-21-17-9-4-5-12-23(17)19(16)25)22-14-20(10-6-11-20)15-7-2-1-3-8-15/h1-5,7-9,12-13H,6,10-11,14H2,(H,22,24)
InChIKeyFLBSLFWONVEMGJ-UHFFFAOYSA-N
XLogP2.55
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 42937782
N-[(1-hydroxycyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111459389
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120890519
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 118789772
5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 52556515
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
N-[(1-hydroxycyclobutyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111445372

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 16614989) is 4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC1(c2ccccc2)CCC1)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FLBSLFWONVEMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-18(16-13-21-17-9-4-5-12-23(17)19(16)25)22-14-20(10-6-11-20)15-7-2-1-3-8-15/h1-5,7-9,12-13H,6,10-11,14H2,(H,22,24).
What are the key properties of 4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16614989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).