N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide

C24H21N5O3 — CID 5447886

IUPACN-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
SMILESCN(Cc1ccccc1)c1nc2ccccn2c(=O)c1/C=N\NC(=O)c1ccccc1O
InChIInChI=1S/C24H21N5O3/c1-28(16-17-9-3-2-4-10-17)22-19(24(32)29-14-8-7-13-21(29)26-22)15-25-27-23(31)18-11-5-6-12-20(18)30/h2-15,30H,16H2,1H3,(H,27,31)/b25-15-
InChIKeyXJDFMXJEXSEMCG-MYYYXRDXSA-N
MW427.46 g/mol
LogP2.80
Rot. Bonds6

About N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide

N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide (PubChem CID 5447886) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
PubChem CID5447886
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC NameN-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
SMILESCN(Cc1ccccc1)c1nc2ccccn2c(=O)c1/C=N\NC(=O)c1ccccc1O
InChIInChI=1S/C24H21N5O3/c1-28(16-17-9-3-2-4-10-17)22-19(24(32)29-14-8-7-13-21(29)26-22)15-25-27-23(31)18-11-5-6-12-20(18)30/h2-15,30H,16H2,1H3,(H,27,31)/b25-15-
InChIKeyXJDFMXJEXSEMCG-MYYYXRDXSA-N
XLogP2.80
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide
CID 45126855
2-hydroxy-N-[(Z)-(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
CID 6030150
2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
CID 4572522
2-(dibenzylamino)-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 177415618
2-cyano-3-[2-(dibenzylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-methylprop-2-enamide
CID 3777821
methyl (2R)-2-[benzyl-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]propanoate
CID 101250236
N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
CID 71952781
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 4683367
2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137101844
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
2-benzylsulfanyl-3-[(phenylhydrazinylidene)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 4649514

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide (CID 5447886) is N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide is CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1/C=N\NC(=O)c1ccccc1O.
What is the InChIKey of N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is XJDFMXJEXSEMCG-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-28(16-17-9-3-2-4-10-17)22-19(24(32)29-14-8-7-13-21(29)26-22)15-25-27-23(31)18-11-5-6-12-20(18)30/h2-15,30H,16H2,1H3,(H,27,31)/b25-15-.
What are the key properties of N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide?
N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 427.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 5447886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).