N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide

C24H27N5O3 — CID 71952781

IUPACN-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
SMILESCCC1CCCCN1c1nc2ccc(C)cn2c(=O)c1C=NNC(=O)c1ccccc1O
InChIInChI=1S/C24H27N5O3/c1-3-17-8-6-7-13-28(17)22-19(24(32)29-15-16(2)11-12-21(29)26-22)14-25-27-23(31)18-9-4-5-10-20(18)30/h4-5,9-12,14-15,17,30H,3,6-8,13H2,1-2H3,(H,27,31)
InChIKeyFIAITHMJXJMAJH-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.24
Rot. Bonds5

About N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide

N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide (PubChem CID 71952781) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
PubChem CID71952781
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
SMILESCCC1CCCCN1c1nc2ccc(C)cn2c(=O)c1C=NNC(=O)c1ccccc1O
InChIInChI=1S/C24H27N5O3/c1-3-17-8-6-7-13-28(17)22-19(24(32)29-15-16(2)11-12-21(29)26-22)14-25-27-23(31)18-9-4-5-10-20(18)30/h4-5,9-12,14-15,17,30H,3,6-8,13H2,1-2H3,(H,27,31)
InChIKeyFIAITHMJXJMAJH-UHFFFAOYSA-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 ≤ 500433.51
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'}

Analyze N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide 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

2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide
CID 45126855
2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
CID 4572522
5-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3358894
(5E)-5-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18805752
N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
CID 5447886
2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 104690132
6-benzyl-5-(2-ethylpiperidine-1-carbonyl)-12-methyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 4907722
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide
CID 136900702
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582432
1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone
CID 114055606
2-[2-(hydroxymethyl)azepan-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 116635079

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide (CID 71952781) is N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide is CCC1CCCCN1c1nc2ccc(C)cn2c(=O)c1C=NNC(=O)c1ccccc1O.
What is the InChIKey of N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is FIAITHMJXJMAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-3-17-8-6-7-13-28(17)22-19(24(32)29-15-16(2)11-12-21(29)26-22)14-25-27-23(31)18-9-4-5-10-20(18)30/h4-5,9-12,14-15,17,30H,3,6-8,13H2,1-2H3,(H,27,31).
What are the key properties of N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide?
N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 433.51 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 N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 71952781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).