N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide

C23H25FN4O — CID 91921598

IUPACN-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide
SMILESO=C(c1cc[nH]c1C1CCCNC1)N(Cc1ccc(F)cc1)Cc1cccnc1
InChIInChI=1S/C23H25FN4O/c24-20-7-5-17(6-8-20)15-28(16-18-3-1-10-25-13-18)23(29)21-9-12-27-22(21)19-4-2-11-26-14-19/h1,3,5-10,12-13,19,26-27H,2,4,11,14-16H2
InChIKeyZORZNLBWXKOOBQ-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.86
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide

N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide (PubChem CID 91921598) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide
PubChem CID91921598
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide
SMILESO=C(c1cc[nH]c1C1CCCNC1)N(Cc1ccc(F)cc1)Cc1cccnc1
InChIInChI=1S/C23H25FN4O/c24-20-7-5-17(6-8-20)15-28(16-18-3-1-10-25-13-18)23(29)21-9-12-27-22(21)19-4-2-11-26-14-19/h1,3,5-10,12-13,19,26-27H,2,4,11,14-16H2
InChIKeyZORZNLBWXKOOBQ-UHFFFAOYSA-N
XLogP3.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide (CID 91921598) is N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide is O=C(c1cc[nH]c1C1CCCNC1)N(Cc1ccc(F)cc1)Cc1cccnc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is ZORZNLBWXKOOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c24-20-7-5-17(6-8-20)15-28(16-18-3-1-10-25-13-18)23(29)21-9-12-27-22(21)19-4-2-11-26-14-19/h1,3,5-10,12-13,19,26-27H,2,4,11,14-16H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-piperidin-3-yl-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91921598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).