N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide

C18H16FN3O3 — CID 54733178

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C18H16FN3O3/c19-13-6-4-12(5-7-13)9-21-17(24)15-11-22(18(25)16(15)23)10-14-3-1-2-8-20-14/h1-8,23H,9-11H2,(H,21,24)
InChIKeyFNUPPEQQWCCTQZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.69
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide (PubChem CID 54733178) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide
PubChem CID54733178
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C18H16FN3O3/c19-13-6-4-12(5-7-13)9-21-17(24)15-11-22(18(25)16(15)23)10-14-3-1-2-8-20-14/h1-8,23H,9-11H2,(H,21,24)
InChIKeyFNUPPEQQWCCTQZ-UHFFFAOYSA-N
XLogP1.69
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide (CID 54733178) is N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide is O=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(Cc2ccccn2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide?
The InChIKey is FNUPPEQQWCCTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-13-6-4-12(5-7-13)9-21-17(24)15-11-22(18(25)16(15)23)10-14-3-1-2-8-20-14/h1-8,23H,9-11H2,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54733178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).