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

C27H28N4O5 — CID 87562845

IUPACN-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide
SMILESCOCCOc1nc(C(=O)NO)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1
InChIInChI=1S/C27H28N4O5/c1-34-16-17-36-27-28-24(18-25(29-27)26(32)30-33)23-10-8-21(9-11-23)3-2-20-4-6-22(7-5-20)19-31-12-14-35-15-13-31/h4-11,18,33H,12-17,19H2,1H3,(H,30,32)
InChIKeyUOLTWIKGFIPBCC-UHFFFAOYSA-N
MW488.54 g/mol
LogP2.52
Rot. Bonds8

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

N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide (PubChem CID 87562845) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide
PubChem CID87562845
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC NameN-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide
SMILESCOCCOc1nc(C(=O)NO)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1
InChIInChI=1S/C27H28N4O5/c1-34-16-17-36-27-28-24(18-25(29-27)26(32)30-33)23-10-8-21(9-11-23)3-2-20-4-6-22(7-5-20)19-31-12-14-35-15-13-31/h4-11,18,33H,12-17,19H2,1H3,(H,30,32)
InChIKeyUOLTWIKGFIPBCC-UHFFFAOYSA-N
XLogP2.52
TPSA106.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide (CID 87562845) is N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide is COCCOc1nc(C(=O)NO)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1.
What is the InChIKey of N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide?
The InChIKey is UOLTWIKGFIPBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-34-16-17-36-27-28-24(18-25(29-27)26(32)30-33)23-10-8-21(9-11-23)3-2-20-4-6-22(7-5-20)19-31-12-14-35-15-13-31/h4-11,18,33H,12-17,19H2,1H3,(H,30,32).
What are the key properties of N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide?
N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-methoxyethoxy)-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 87562845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).