N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C22H19F4N3O2 — CID 162499112

IUPACN-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NC1(C23CC(NC(=O)c4ccc(C(F)(F)F)cn4)(C2)C3)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H19F4N3O2/c23-15-4-1-13(2-5-15)17(30)29-21(7-8-21)19-10-20(11-19,12-19)28-18(31)16-6-3-14(9-27-16)22(24,25)26/h1-6,9H,7-8,10-12H2,(H,28,31)(H,29,30)
InChIKeyPVSNHFJCFAXOEK-UHFFFAOYSA-N
MW433.41 g/mol
LogP3.85
Rot. Bonds5

About N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 162499112) has the molecular formula C22H19F4N3O2 and a molecular weight of 433.41 g/mol. Its IUPAC name is N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID162499112
Molecular FormulaC22H19F4N3O2
Molecular Weight433.41 g/mol
Exact Mass433.14
IUPAC NameN-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NC1(C23CC(NC(=O)c4ccc(C(F)(F)F)cn4)(C2)C3)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H19F4N3O2/c23-15-4-1-13(2-5-15)17(30)29-21(7-8-21)19-10-20(11-19,12-19)28-18(31)16-6-3-14(9-27-16)22(24,25)26/h1-6,9H,7-8,10-12H2,(H,28,31)(H,29,30)
InChIKeyPVSNHFJCFAXOEK-UHFFFAOYSA-N
XLogP3.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[1-(bromomethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909406
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737184
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide
CID 123342907
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909451
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 116547155
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292493
N-(5-chloropyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107595663
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
N-(3-hydroxycyclobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909152
N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115692921

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 162499112) is N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(NC1(C23CC(NC(=O)c4ccc(C(F)(F)F)cn4)(C2)C3)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is PVSNHFJCFAXOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O2/c23-15-4-1-13(2-5-15)17(30)29-21(7-8-21)19-10-20(11-19,12-19)28-18(31)16-6-3-14(9-27-16)22(24,25)26/h1-6,9H,7-8,10-12H2,(H,28,31)(H,29,30).
What are the key properties of N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 433.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 162499112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).