N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide

C17H13N3O2 — CID 164614577

IUPACN-hydroxy-4,6-diphenylpyrimidine-2-carboxamide
SMILESO=C(NO)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H13N3O2/c21-17(20-22)16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11,22H,(H,20,21)
InChIKeyIJOTVYKDHDOPEF-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.93
Rot. Bonds3

About N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide

N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide (PubChem CID 164614577) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4,6-diphenylpyrimidine-2-carboxamide
PubChem CID164614577
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-hydroxy-4,6-diphenylpyrimidine-2-carboxamide
SMILESO=C(NO)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H13N3O2/c21-17(20-22)16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11,22H,(H,20,21)
InChIKeyIJOTVYKDHDOPEF-UHFFFAOYSA-N
XLogP2.93
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4,6-diphenyl-N'-propan-2-ylpyrimidine-2-carbohydrazide
CID 1361933
N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide
CID 4245690
N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide
CID 3456434
4-methyl-6-phenylpyrimidine-2-carboxylic acid
CID 12846711
4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide
CID 1381235
4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158
N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
CID 4230749
iridium;bis(4-methyl-6-phenylpyrimidine-2-carboxylate)
CID 175287242
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-(4,6-diphenylpyrimidin-2-yl)propanamide
CID 11278089
N-hydroxy-2,5-diphenylbenzamide
CID 58121123
7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide
CID 162394736

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide?
The IUPAC name of N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide (CID 164614577) is N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide.
What is the SMILES notation for N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide?
The canonical SMILES for N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide is O=C(NO)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide?
The InChIKey is IJOTVYKDHDOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-17(20-22)16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11,22H,(H,20,21).
What are the key properties of N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide?
N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide is sourced from PubChem (CID 164614577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).