2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide

C13H13ClN4O2 — CID 57380973

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C13H13ClN4O2/c14-11-3-1-2-9(6-11)4-5-15-13-16-7-10(8-17-13)12(19)18-20/h1-3,6-8,20H,4-5H2,(H,18,19)(H,15,16,17)
InChIKeyGVRHANNHOUKGLH-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.90
Rot. Bonds5

About 2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide

2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 57380973) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID57380973
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C13H13ClN4O2/c14-11-3-1-2-9(6-11)4-5-15-13-16-7-10(8-17-13)12(19)18-20/h1-3,6-8,20H,4-5H2,(H,18,19)(H,15,16,17)
InChIKeyGVRHANNHOUKGLH-UHFFFAOYSA-N
XLogP1.90
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.90
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-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide (CID 57380973) is 2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NCCc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is GVRHANNHOUKGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-11-3-1-2-9(6-11)4-5-15-13-16-7-10(8-17-13)12(19)18-20/h1-3,6-8,20H,4-5H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide?
2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 57380973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).