6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide

C22H17FN4O3S — CID 51039068

IUPAC6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1
InChIInChI=1S/C22H17FN4O3S/c23-15-6-3-13(4-7-15)17-10-18(19-2-1-9-31-19)26-20(17)22(29)25-12-16-8-5-14(11-24-16)21(28)27-30/h1-11,26,30H,12H2,(H,25,29)(H,27,28)
InChIKeyKZVZDNHKHYIMMB-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.99
Rot. Bonds6

About 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide

6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide (PubChem CID 51039068) has the molecular formula C22H17FN4O3S and a molecular weight of 436.47 g/mol. Its IUPAC name is 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide
PubChem CID51039068
Molecular FormulaC22H17FN4O3S
Molecular Weight436.47 g/mol
Exact Mass436.10
IUPAC Name6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1
InChIInChI=1S/C22H17FN4O3S/c23-15-6-3-13(4-7-15)17-10-18(19-2-1-9-31-19)26-20(17)22(29)25-12-16-8-5-14(11-24-16)21(28)27-30/h1-11,26,30H,12H2,(H,25,29)(H,27,28)
InChIKeyKZVZDNHKHYIMMB-UHFFFAOYSA-N
XLogP3.99
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.99
H-Bond Donors ≤ 54
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 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide?
The IUPAC name of 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide (CID 51039068) is 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide.
What is the SMILES notation for 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide?
The canonical SMILES for 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide is O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1.
What is the InChIKey of 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide?
The InChIKey is KZVZDNHKHYIMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3S/c23-15-6-3-13(4-7-15)17-10-18(19-2-1-9-31-19)26-20(17)22(29)25-12-16-8-5-14(11-24-16)21(28)27-30/h1-11,26,30H,12H2,(H,25,29)(H,27,28).
What are the key properties of 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide?
6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[3-(4-fluorophenyl)-5-thiophen-2-yl-1H-pyrrole-2-carbonyl]amino]methyl]-N-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 51039068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).