2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide

C24H21N5O3 — CID 45126855

IUPAC2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide
SMILESCc1ccc2nc(N(C)c3ccccc3)c(/C=N/NC(=O)c3ccccc3O)c(=O)n2c1
InChIInChI=1S/C24H21N5O3/c1-16-12-13-21-26-22(28(2)17-8-4-3-5-9-17)19(24(32)29(21)15-16)14-25-27-23(31)18-10-6-7-11-20(18)30/h3-15,30H,1-2H3,(H,27,31)/b25-14+
InChIKeyGRIJVRBPUJNBNP-AFUMVMLFSA-N
MW427.46 g/mol
LogP3.24
Rot. Bonds5

About 2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide

2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide (PubChem CID 45126855) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide
PubChem CID45126855
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide
SMILESCc1ccc2nc(N(C)c3ccccc3)c(/C=N/NC(=O)c3ccccc3O)c(=O)n2c1
InChIInChI=1S/C24H21N5O3/c1-16-12-13-21-26-22(28(2)17-8-4-3-5-9-17)19(24(32)29(21)15-16)14-25-27-23(31)18-10-6-7-11-20(18)30/h3-15,30H,1-2H3,(H,27,31)/b25-14+
InChIKeyGRIJVRBPUJNBNP-AFUMVMLFSA-N
XLogP3.24
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.24
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

N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
CID 5447886
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-[(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
3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6903267
N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790825
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxybenzamide
CID 5419171
2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 4683367
4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 75137265
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide (CID 45126855) is 2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide is Cc1ccc2nc(N(C)c3ccccc3)c(/C=N/NC(=O)c3ccccc3O)c(=O)n2c1.
What is the InChIKey of 2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide?
The InChIKey is GRIJVRBPUJNBNP-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-16-12-13-21-26-22(28(2)17-8-4-3-5-9-17)19(24(32)29(21)15-16)14-25-27-23(31)18-10-6-7-11-20(18)30/h3-15,30H,1-2H3,(H,27,31)/b25-14+.
What are the key properties of 2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide?
2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide has a molecular weight of 427.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide is sourced from PubChem (CID 45126855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).