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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Related Compounds

Acy-738
CID 57381425
2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide
CID 91844718
2-((1-(3-fluorophenyl)cyclohexyl)amino)-N-hydroxypyrimidine-5-carboxamide
CID 57382288
N-[5-(3-chlorophenyl)pyridin-2-yl]pyrimidine-5-carboxamide
CID 129240156
2-[(3-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 56968097
N-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 57381422
2-[[1-(2-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 57382064
2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 87719016
2-[(1R,5S)-6-[(4-chlorophenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
CID 49856931
2-[(3aR,6aS)-2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide
CID 52941022
2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide
CID 52943493
2-(4-chloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380059

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).