N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide

C26H27F3N4O — CID 42405845

IUPACN-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCC(NCCc3ccccc3C(F)(F)F)CC2)c1)c1ccncc1
InChIInChI=1S/C26H27F3N4O/c27-26(28,29)24-7-2-1-4-19(24)10-15-31-21-11-16-33(17-12-21)23-6-3-5-22(18-23)32-25(34)20-8-13-30-14-9-20/h1-9,13-14,18,21,31H,10-12,15-17H2,(H,32,34)
InChIKeyYWNDKVILUQWAJX-UHFFFAOYSA-N
MW468.52 g/mol
LogP5.15
Rot. Bonds7

About N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide

N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide (PubChem CID 42405845) has the molecular formula C26H27F3N4O and a molecular weight of 468.52 g/mol. Its IUPAC name is N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
PubChem CID42405845
Molecular FormulaC26H27F3N4O
Molecular Weight468.52 g/mol
Exact Mass468.21
IUPAC NameN-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCC(NCCc3ccccc3C(F)(F)F)CC2)c1)c1ccncc1
InChIInChI=1S/C26H27F3N4O/c27-26(28,29)24-7-2-1-4-19(24)10-15-31-21-11-16-33(17-12-21)23-6-3-5-22(18-23)32-25(34)20-8-13-30-14-9-20/h1-9,13-14,18,21,31H,10-12,15-17H2,(H,32,34)
InChIKeyYWNDKVILUQWAJX-UHFFFAOYSA-N
XLogP5.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 42433832
N-[3-[4-(3-pyridin-4-ylpropylamino)piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 25294988
N-[3-[4-(2,2-diphenylethylamino)piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 26335398
N-[3-[4-[2-(1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 26338800
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
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
N-[3-[4-[[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 125159053
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
N-[3-[4-[[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]piperidin-1-yl]phenyl]pyridine-4-carboxamide
CID 125179634
N-[3-[4-(1-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 45201861
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide (CID 42405845) is N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(N2CCC(NCCc3ccccc3C(F)(F)F)CC2)c1)c1ccncc1.
What is the InChIKey of N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is YWNDKVILUQWAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O/c27-26(28,29)24-7-2-1-4-19(24)10-15-31-21-11-16-33(17-12-21)23-6-3-5-22(18-23)32-25(34)20-8-13-30-14-9-20/h1-9,13-14,18,21,31H,10-12,15-17H2,(H,32,34).
What are the key properties of N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide?
N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-[2-(trifluoromethyl)phenyl]ethylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 42405845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).