2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide

C26H30F3N5O — CID 55633991

IUPAC2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)n1-c1ccccn1
InChIInChI=1S/C26H30F3N5O/c1-19-17-23(20(2)34(19)24-9-3-4-10-30-24)25(35)31-11-6-12-32-13-15-33(16-14-32)22-8-5-7-21(18-22)26(27,28)29/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,31,35)
InChIKeyWEKNYDHXDPSGFB-UHFFFAOYSA-N
MW485.55 g/mol
LogP4.45
Rot. Bonds7

About 2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide

2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide (PubChem CID 55633991) has the molecular formula C26H30F3N5O and a molecular weight of 485.55 g/mol. Its IUPAC name is 2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide
PubChem CID55633991
Molecular FormulaC26H30F3N5O
Molecular Weight485.55 g/mol
Exact Mass485.24
IUPAC Name2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)n1-c1ccccn1
InChIInChI=1S/C26H30F3N5O/c1-19-17-23(20(2)34(19)24-9-3-4-10-30-24)25(35)31-11-6-12-32-13-15-33(16-14-32)22-8-5-7-21(18-22)26(27,28)29/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,31,35)
InChIKeyWEKNYDHXDPSGFB-UHFFFAOYSA-N
XLogP4.45
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634446
2,5-dimethyl-N-(3-piperazin-1-ylpropyl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 119393360
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 47055405
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 56503147
3,4-dimethyl-6-oxo-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-pyridazine-5-carboxamide
CID 112841508
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169
1-(5-methyl-1,3-thiazol-2-yl)-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]urea
CID 112824707
1-tert-butyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]urea
CID 112840319
1-[(2-methyl-5-phenyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 10322750
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55955991
2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine
CID 110930670

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide (CID 55633991) is 2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide is Cc1cc(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)n1-c1ccccn1.
What is the InChIKey of 2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide?
The InChIKey is WEKNYDHXDPSGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O/c1-19-17-23(20(2)34(19)24-9-3-4-10-30-24)25(35)31-11-6-12-32-13-15-33(16-14-32)22-8-5-7-21(18-22)26(27,28)29/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,31,35).
What are the key properties of 2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide?
2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide has a molecular weight of 485.55 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide is sourced from PubChem (CID 55633991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).