2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide

C23H23ClN6O5 — CID 164610960

IUPAC2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide
SMILESO=C(NO)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl
InChIInChI=1S/C23H23ClN6O5/c24-18-13-25-23(28-21(18)27-19-4-2-1-3-17(19)22(32)29-33)26-15-5-7-16(8-6-15)35-14-20(31)30-9-11-34-12-10-30/h1-8,13,33H,9-12,14H2,(H,29,32)(H2,25,26,27,28)
InChIKeyZPRANXAOQIWXKA-UHFFFAOYSA-N
MW498.93 g/mol
LogP2.97
Rot. Bonds8

About 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide

2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide (PubChem CID 164610960) has the molecular formula C23H23ClN6O5 and a molecular weight of 498.93 g/mol. Its IUPAC name is 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide
PubChem CID164610960
Molecular FormulaC23H23ClN6O5
Molecular Weight498.93 g/mol
Exact Mass498.14
IUPAC Name2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide
SMILESO=C(NO)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl
InChIInChI=1S/C23H23ClN6O5/c24-18-13-25-23(28-21(18)27-19-4-2-1-3-17(19)22(32)29-33)26-15-5-7-16(8-6-15)35-14-20(31)30-9-11-34-12-10-30/h1-8,13,33H,9-12,14H2,(H,29,32)(H2,25,26,27,28)
InChIKeyZPRANXAOQIWXKA-UHFFFAOYSA-N
XLogP2.97
TPSA137.94 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.93
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide?
The IUPAC name of 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide (CID 164610960) is 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide.
What is the SMILES notation for 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide?
The canonical SMILES for 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide is O=C(NO)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide?
The InChIKey is ZPRANXAOQIWXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O5/c24-18-13-25-23(28-21(18)27-19-4-2-1-3-17(19)22(32)29-33)26-15-5-7-16(8-6-15)35-14-20(31)30-9-11-34-12-10-30/h1-8,13,33H,9-12,14H2,(H,29,32)(H2,25,26,27,28).
What are the key properties of 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide?
2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide has a molecular weight of 498.93 g/mol, XLogP of 2.97, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 164610960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).