2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H19BrF3N5O2 — CID 68585246

IUPAC2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCN(c3nc(C(F)(F)F)ccc3C(N)=O)CC2)cc1Br
InChIInChI=1S/C18H19BrF3N5O2/c1-9-12(19)8-13(24-9)17(29)25-10-4-6-27(7-5-10)16-11(15(23)28)2-3-14(26-16)18(20,21)22/h2-3,8,10,24H,4-7H2,1H3,(H2,23,28)(H,25,29)
InChIKeyXRAKZAZFZMSCEX-UHFFFAOYSA-N
MW474.28 g/mol
LogP3.00
Rot. Bonds4

About 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 68585246) has the molecular formula C18H19BrF3N5O2 and a molecular weight of 474.28 g/mol. Its IUPAC name is 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID68585246
Molecular FormulaC18H19BrF3N5O2
Molecular Weight474.28 g/mol
Exact Mass473.07
IUPAC Name2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCN(c3nc(C(F)(F)F)ccc3C(N)=O)CC2)cc1Br
InChIInChI=1S/C18H19BrF3N5O2/c1-9-12(19)8-13(24-9)17(29)25-10-4-6-27(7-5-10)16-11(15(23)28)2-3-14(26-16)18(20,21)22/h2-3,8,10,24H,4-7H2,1H3,(H2,23,28)(H,25,29)
InChIKeyXRAKZAZFZMSCEX-UHFFFAOYSA-N
XLogP3.00
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.28
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-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 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 68585246) is 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1[nH]c(C(=O)NC2CCN(c3nc(C(F)(F)F)ccc3C(N)=O)CC2)cc1Br.
What is the InChIKey of 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XRAKZAZFZMSCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF3N5O2/c1-9-12(19)8-13(24-9)17(29)25-10-4-6-27(7-5-10)16-11(15(23)28)2-3-14(26-16)18(20,21)22/h2-3,8,10,24H,4-7H2,1H3,(H2,23,28)(H,25,29).
What are the key properties of 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 474.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromo-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 68585246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).