2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide

C24H17N5O2 — CID 46899314

IUPAC2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(NO)c1cc(-c2ccc(C#Cc3cccnc3)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C24H17N5O2/c30-23(29-31)22-15-21(27-24(28-22)26-20-6-2-1-3-7-20)19-12-10-17(11-13-19)8-9-18-5-4-14-25-16-18/h1-7,10-16,31H,(H,29,30)(H,26,27,28)
InChIKeyQSQIEKLMEUNMOA-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.80
Rot. Bonds4

About 2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide

2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 46899314) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide
PubChem CID46899314
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC Name2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(NO)c1cc(-c2ccc(C#Cc3cccnc3)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C24H17N5O2/c30-23(29-31)22-15-21(27-24(28-22)26-20-6-2-1-3-7-20)19-12-10-17(11-13-19)8-9-18-5-4-14-25-16-18/h1-7,10-16,31H,(H,29,30)(H,26,27,28)
InChIKeyQSQIEKLMEUNMOA-UHFFFAOYSA-N
XLogP3.80
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide (CID 46899314) is 2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide is O=C(NO)c1cc(-c2ccc(C#Cc3cccnc3)cc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is QSQIEKLMEUNMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2/c30-23(29-31)22-15-21(27-24(28-22)26-20-6-2-1-3-7-20)19-12-10-17(11-13-19)8-9-18-5-4-14-25-16-18/h1-7,10-16,31H,(H,29,30)(H,26,27,28).
What are the key properties of 2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide?
2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 46899314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).