2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide

C14H12F2N4O2 — CID 87719016

IUPAC2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3c(F)cccc3F)CC2)nc1
InChIInChI=1S/C14H12F2N4O2/c15-9-2-1-3-10(16)11(9)14(4-5-14)19-13-17-6-8(7-18-13)12(21)20-22/h1-3,6-7,22H,4-5H2,(H,20,21)(H,17,18,19)
InChIKeyWOFXOCAVSBFEGV-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.98
Rot. Bonds4

About 2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 87719016) has the molecular formula C14H12F2N4O2 and a molecular weight of 306.27 g/mol. Its IUPAC name is 2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID87719016
Molecular FormulaC14H12F2N4O2
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3c(F)cccc3F)CC2)nc1
InChIInChI=1S/C14H12F2N4O2/c15-9-2-1-3-10(16)11(9)14(4-5-14)19-13-17-6-8(7-18-13)12(21)20-22/h1-3,6-7,22H,4-5H2,(H,20,21)(H,17,18,19)
InChIKeyWOFXOCAVSBFEGV-UHFFFAOYSA-N
XLogP1.98
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.98
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-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 87719016) is 2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3c(F)cccc3F)CC2)nc1.
What is the InChIKey of 2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is WOFXOCAVSBFEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O2/c15-9-2-1-3-10(16)11(9)14(4-5-14)19-13-17-6-8(7-18-13)12(21)20-22/h1-3,6-7,22H,4-5H2,(H,20,21)(H,17,18,19).
What are the key properties of 2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 306.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 87719016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).