2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide

C18H14N4O2 — CID 59783744

IUPAC2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C18H14N4O2/c23-17(22-24)11-9-19-18(20-10-11)21-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16,24H,(H,22,23)(H,19,20,21)
InChIKeyQTFSRHBXPUCDKN-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.78
Rot. Bonds3

About 2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide

2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide (PubChem CID 59783744) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide
PubChem CID59783744
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C18H14N4O2/c23-17(22-24)11-9-19-18(20-10-11)21-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16,24H,(H,22,23)(H,19,20,21)
InChIKeyQTFSRHBXPUCDKN-UHFFFAOYSA-N
XLogP2.78
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide (CID 59783744) is 2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2c3ccccc3-c3ccccc32)nc1.
What is the InChIKey of 2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is QTFSRHBXPUCDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(22-24)11-9-19-18(20-10-11)21-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16,24H,(H,22,23)(H,19,20,21).
What are the key properties of 2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide?
2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylamino)-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 59783744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).