N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide

C18H14F4N4O — CID 121422674

IUPACN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide
SMILESN#Cc1ncc(NC(=O)C2(Nc3cccc(F)c3)CCC2)cc1C(F)(F)F
InChIInChI=1S/C18H14F4N4O/c19-11-3-1-4-12(7-11)26-17(5-2-6-17)16(27)25-13-8-14(18(20,21)22)15(9-23)24-10-13/h1,3-4,7-8,10,26H,2,5-6H2,(H,25,27)
InChIKeyPBFUMDACZDAGHE-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.08
Rot. Bonds4

About N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide (PubChem CID 121422674) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide
PubChem CID121422674
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide
SMILESN#Cc1ncc(NC(=O)C2(Nc3cccc(F)c3)CCC2)cc1C(F)(F)F
InChIInChI=1S/C18H14F4N4O/c19-11-3-1-4-12(7-11)26-17(5-2-6-17)16(27)25-13-8-14(18(20,21)22)15(9-23)24-10-13/h1,3-4,7-8,10,26H,2,5-6H2,(H,25,27)
InChIKeyPBFUMDACZDAGHE-UHFFFAOYSA-N
XLogP4.08
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-fluoroanilino)cyclobutane-1-carboxylate
CID 62389643
N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide
CID 151019291
(2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide
CID 153366038
methyl 1-(3-fluoroanilino)cyclopentane-1-carboxylate
CID 54890364
1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983653
N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]-4-methoxybenzamide
CID 172821541
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide
CID 137445272
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 138611575
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 175373793
1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(2,4-difluorophenyl)-3-(1-formylcyclobutyl)-1-methylthiourea
CID 126527169
(2S)-3-(3-chloro-5-fluoroindazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 156841929
1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylic acid
CID 65084949

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide?
The IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide (CID 121422674) is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide?
The canonical SMILES for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide is N#Cc1ncc(NC(=O)C2(Nc3cccc(F)c3)CCC2)cc1C(F)(F)F.
What is the InChIKey of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide?
The InChIKey is PBFUMDACZDAGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c19-11-3-1-4-12(7-11)26-17(5-2-6-17)16(27)25-13-8-14(18(20,21)22)15(9-23)24-10-13/h1,3-4,7-8,10,26H,2,5-6H2,(H,25,27).
What are the key properties of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide?
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide has a molecular weight of 378.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide is sourced from PubChem (CID 121422674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).