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

C18H16FN3O — CID 22518217

IUPAC5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1ccccn1
InChIInChI=1S/C18H16FN3O/c1-12-16(18(23)21-11-15-4-2-3-9-20-15)10-17(22-12)13-5-7-14(19)8-6-13/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyKKLXXYPJRUNJPG-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.45
Rot. Bonds4

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

5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide (PubChem CID 22518217) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide
PubChem CID22518217
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1ccccn1
InChIInChI=1S/C18H16FN3O/c1-12-16(18(23)21-11-15-4-2-3-9-20-15)10-17(22-12)13-5-7-14(19)8-6-13/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyKKLXXYPJRUNJPG-UHFFFAOYSA-N
XLogP3.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide (CID 22518217) is 5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1ccccn1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is KKLXXYPJRUNJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-16(18(23)21-11-15-4-2-3-9-20-15)10-17(22-12)13-5-7-14(19)8-6-13/h2-10,22H,11H2,1H3,(H,21,23).
What are the key properties of 5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide?
5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 22518217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).