N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide

C25H25F3N4O — CID 42433832

IUPACN-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCC(NCc3ccc(C(F)(F)F)cc3)CC2)c1)c1ccncc1
InChIInChI=1S/C25H25F3N4O/c26-25(27,28)20-6-4-18(5-7-20)17-30-21-10-14-32(15-11-21)23-3-1-2-22(16-23)31-24(33)19-8-12-29-13-9-19/h1-9,12-13,16,21,30H,10-11,14-15,17H2,(H,31,33)
InChIKeyJJNWKHMPZYVEOX-UHFFFAOYSA-N
MW454.50 g/mol
LogP5.11
Rot. Bonds6

About N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide

N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide (PubChem CID 42433832) has the molecular formula C25H25F3N4O and a molecular weight of 454.50 g/mol. Its IUPAC name is N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
PubChem CID42433832
Molecular FormulaC25H25F3N4O
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC NameN-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCC(NCc3ccc(C(F)(F)F)cc3)CC2)c1)c1ccncc1
InChIInChI=1S/C25H25F3N4O/c26-25(27,28)20-6-4-18(5-7-20)17-30-21-10-14-32(15-11-21)23-3-1-2-22(16-23)31-24(33)19-8-12-29-13-9-19/h1-9,12-13,16,21,30H,10-11,14-15,17H2,(H,31,33)
InChIKeyJJNWKHMPZYVEOX-UHFFFAOYSA-N
XLogP5.11
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(3-pyridin-4-ylpropylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 25294988
N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 42405845
N-[3-[4-(2,2-diphenylethylamino)piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 26335398
N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]ethanesulfonamide
CID 126465599
N-[3-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 25294297
N-[3-[4-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42166182
N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 26338800
4-chloro-N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylphenyl]benzamide;4-chloro-N-[3-[4-[3-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylphenyl]benzamide
CID 159907556
3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
CID 44547277
4-[[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 122030606
1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233
N-[3-[4-[[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 125159053

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide (CID 42433832) is N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(N2CCC(NCc3ccc(C(F)(F)F)cc3)CC2)c1)c1ccncc1.
What is the InChIKey of N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is JJNWKHMPZYVEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O/c26-25(27,28)20-6-4-18(5-7-20)17-30-21-10-14-32(15-11-21)23-3-1-2-22(16-23)31-24(33)19-8-12-29-13-9-19/h1-9,12-13,16,21,30H,10-11,14-15,17H2,(H,31,33).
What are the key properties of N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide?
N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 42433832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).