N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide

C22H25N5O4 — CID 118709073

IUPACN-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide
SMILESCc1cc([C@@H](C)Nc2ccccc2C(=O)NO)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C22H25N5O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(29)25-30)21-24-19(12-20(28)27(21)13-14)26-7-9-31-10-8-26/h3-6,11-13,15,23,30H,7-10H2,1-2H3,(H,25,29)/t15-/m1/s1
InChIKeyIESJAEYNUNYURS-OAHLLOKOSA-N
MW423.47 g/mol
LogP2.13
Rot. Bonds5

About N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide

N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide (PubChem CID 118709073) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide
PubChem CID118709073
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide
SMILESCc1cc([C@@H](C)Nc2ccccc2C(=O)NO)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C22H25N5O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(29)25-30)21-24-19(12-20(28)27(21)13-14)26-7-9-31-10-8-26/h3-6,11-13,15,23,30H,7-10H2,1-2H3,(H,25,29)/t15-/m1/s1
InChIKeyIESJAEYNUNYURS-OAHLLOKOSA-N
XLogP2.13
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide?
The IUPAC name of N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide (CID 118709073) is N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide.
What is the SMILES notation for N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide?
The canonical SMILES for N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide is Cc1cc([C@@H](C)Nc2ccccc2C(=O)NO)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide?
The InChIKey is IESJAEYNUNYURS-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(29)25-30)21-24-19(12-20(28)27(21)13-14)26-7-9-31-10-8-26/h3-6,11-13,15,23,30H,7-10H2,1-2H3,(H,25,29)/t15-/m1/s1.
What are the key properties of N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide?
N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide has a molecular weight of 423.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzamide is sourced from PubChem (CID 118709073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).