2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide

C26H27N5O4 — CID 89034418

IUPAC2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide
SMILESO=C(NO)c1cc(-c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2)nc(NC(=O)C2CC2)n1
InChIInChI=1S/C26H27N5O4/c32-24(21-9-10-21)29-26-27-22(15-23(28-26)25(33)30-34)20-7-5-19(6-8-20)18-3-1-17(2-4-18)16-31-11-13-35-14-12-31/h1-8,15,21,34H,9-14,16H2,(H,30,33)(H,27,28,29,32)
InChIKeyMETYEPXXILODOM-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.11
Rot. Bonds7

About 2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide (PubChem CID 89034418) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide
PubChem CID89034418
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide
SMILESO=C(NO)c1cc(-c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2)nc(NC(=O)C2CC2)n1
InChIInChI=1S/C26H27N5O4/c32-24(21-9-10-21)29-26-27-22(15-23(28-26)25(33)30-34)20-7-5-19(6-8-20)18-3-1-17(2-4-18)16-31-11-13-35-14-12-31/h1-8,15,21,34H,9-14,16H2,(H,30,33)(H,27,28,29,32)
InChIKeyMETYEPXXILODOM-UHFFFAOYSA-N
XLogP3.11
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Related Compounds

N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide
CID 87562845
N-hydroxy-2-(2-morpholin-4-ylethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide
CID 87563400
N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
CID 50991200
2-acetamido-N-hydroxy-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxamide
CID 87562236
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
2-amino-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxylic acid
CID 68760205
2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-N-(oxan-4-yloxy)pyrimidine-4-carboxamide
CID 87563406
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 108763394
methyl 2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-6-(pyrazine-2-carbonylamino)pyridine-4-carboxylate
CID 70853476
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide (CID 89034418) is 2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide is O=C(NO)c1cc(-c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2)nc(NC(=O)C2CC2)n1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide?
The InChIKey is METYEPXXILODOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c32-24(21-9-10-21)29-26-27-22(15-23(28-26)25(33)30-34)20-7-5-19(6-8-20)18-3-1-17(2-4-18)16-31-11-13-35-14-12-31/h1-8,15,21,34H,9-14,16H2,(H,30,33)(H,27,28,29,32).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-hydroxy-6-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 89034418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).