2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide

C14H13ClN4O2 — CID 57382066

IUPAC2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3cccc(Cl)c3)CC2)nc1
InChIInChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(6-11)14(4-5-14)18-13-16-7-9(8-17-13)12(20)19-21/h1-3,6-8,21H,4-5H2,(H,19,20)(H,16,17,18)
InChIKeyBFQLSZNHAUKBFB-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.35
Rot. Bonds4

About 2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 57382066) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID57382066
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3cccc(Cl)c3)CC2)nc1
InChIInChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(6-11)14(4-5-14)18-13-16-7-9(8-17-13)12(20)19-21/h1-3,6-8,21H,4-5H2,(H,19,20)(H,16,17,18)
InChIKeyBFQLSZNHAUKBFB-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-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 57382066) is 2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3cccc(Cl)c3)CC2)nc1.
What is the InChIKey of 2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is BFQLSZNHAUKBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(6-11)14(4-5-14)18-13-16-7-9(8-17-13)12(20)19-21/h1-3,6-8,21H,4-5H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[1-(3-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-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 57382066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).