2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide

C21H21N5O3 — CID 4572522

IUPAC2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1c(N2CCCCC2)nc2ccccn2c1=O)c1ccccc1O
InChIInChI=1S/C21H21N5O3/c27-17-9-3-2-8-15(17)20(28)24-22-14-16-19(25-11-5-1-6-12-25)23-18-10-4-7-13-26(18)21(16)29/h2-4,7-10,13-14,27H,1,5-6,11-12H2,(H,24,28)
InChIKeyDJFPNUIRCFBQIC-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.15
Rot. Bonds4

About 2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide

2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide (PubChem CID 4572522) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
PubChem CID4572522
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1c(N2CCCCC2)nc2ccccn2c1=O)c1ccccc1O
InChIInChI=1S/C21H21N5O3/c27-17-9-3-2-8-15(17)20(28)24-22-14-16-19(25-11-5-1-6-12-25)23-18-10-4-7-13-26(18)21(16)29/h2-4,7-10,13-14,27H,1,5-6,11-12H2,(H,24,28)
InChIKeyDJFPNUIRCFBQIC-UHFFFAOYSA-N
XLogP2.15
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.15
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-[(Z)-(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
CID 6030150
N-[(Z)-[2-[benzyl(methyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
CID 5447886
[(Z)-[2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]thiourea
CID 6138228
N-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
CID 71952781
N-[(9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 2307745
(E)-3-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
CID 84818371
5-[[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 3484874
3-[2-(azepan-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-benzyl-2-cyanoprop-2-enamide
CID 4661651
2-[(2Z)-2-[(9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]hydrazinyl]benzoate
CID 7689875
N-[(Z)-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-3-nitrobenzamide
CID 92641097
2-[4-oxo-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 3342062
2-hydroxy-N-[(E)-[7-methyl-2-(N-methylanilino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide
CID 45126855

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide (CID 4572522) is 2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide is O=C(NN=Cc1c(N2CCCCC2)nc2ccccn2c1=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide?
The InChIKey is DJFPNUIRCFBQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-17-9-3-2-8-15(17)20(28)24-22-14-16-19(25-11-5-1-6-12-25)23-18-10-4-7-13-26(18)21(16)29/h2-4,7-10,13-14,27H,1,5-6,11-12H2,(H,24,28).
What are the key properties of 2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide?
2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide has a molecular weight of 391.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 4572522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).