2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide

C14H13ClN4O2 — CID 57382064

IUPAC2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C14H13ClN4O2/c15-11-4-2-1-3-10(11)14(5-6-14)18-13-16-7-9(8-17-13)12(20)19-21/h1-4,7-8,21H,5-6H2,(H,19,20)(H,16,17,18)
InChIKeyPYBVBLKHLKTINB-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.35
Rot. Bonds4

About 2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 57382064) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID57382064
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C14H13ClN4O2/c15-11-4-2-1-3-10(11)14(5-6-14)18-13-16-7-9(8-17-13)12(20)19-21/h1-4,7-8,21H,5-6H2,(H,19,20)(H,16,17,18)
InChIKeyPYBVBLKHLKTINB-UHFFFAOYSA-N
XLogP2.35
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.35
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-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 57382064) is 2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3ccccc3Cl)CC2)nc1.
What is the InChIKey of 2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is PYBVBLKHLKTINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-11-4-2-1-3-10(11)14(5-6-14)18-13-16-7-9(8-17-13)12(20)19-21/h1-4,7-8,21H,5-6H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 304.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 57382064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).