tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine

C54H60F3N11O2 — CID 160559900

IUPACtert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cncc(-c3ccncc3)c2)CC1.FC(F)(F)c1cccc(CNc2cncc(-c3ccncc3)c2)c1.c1cc(-c2cncc(NCC3CCCNC3)c2)ccn1
InChIInChI=1S/C20H26N4O2.C18H14F3N3.C16H20N4/c1-20(2,3)26-19(25)24-10-6-17(7-11-24)23-18-12-16(13-22-14-18)15-4-8-21-9-5-15;19-18(20,21)16-3-1-2-13(8-16)10-24-17-9-15(11-23-12-17)14-4-6-22-7-5-14;1-2-13(9-18-5-1)10-20-16-8-15(11-19-12-16)14-3-6-17-7-4-14/h4-5,8-9,12-14,17,23H,6-7,10-11H2,1-3H3;1-9,11-12,24H,10H2;3-4,6-8,11-13,18,20H,1-2,5,9-10H2
InChIKeyQZEAADTVFLKNLX-UHFFFAOYSA-N
MW952.14 g/mol
LogP11.28
Rot. Bonds11

About tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine

tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine (PubChem CID 160559900) has the molecular formula C54H60F3N11O2 and a molecular weight of 952.14 g/mol. Its IUPAC name is tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Nametert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
PubChem CID160559900
Molecular FormulaC54H60F3N11O2
Molecular Weight952.14 g/mol
Exact Mass951.49
IUPAC Nametert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cncc(-c3ccncc3)c2)CC1.FC(F)(F)c1cccc(CNc2cncc(-c3ccncc3)c2)c1.c1cc(-c2cncc(NCC3CCCNC3)c2)ccn1
InChIInChI=1S/C20H26N4O2.C18H14F3N3.C16H20N4/c1-20(2,3)26-19(25)24-10-6-17(7-11-24)23-18-12-16(13-22-14-18)15-4-8-21-9-5-15;19-18(20,21)16-3-1-2-13(8-16)10-24-17-9-15(11-23-12-17)14-4-6-22-7-5-14;1-2-13(9-18-5-1)10-20-16-8-15(11-19-12-16)14-3-6-17-7-4-14/h4-5,8-9,12-14,17,23H,6-7,10-11H2,1-3H3;1-9,11-12,24H,10H2;3-4,6-8,11-13,18,20H,1-2,5,9-10H2
InChIKeyQZEAADTVFLKNLX-UHFFFAOYSA-N
XLogP11.28
TPSA155.00 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500952.14
LogP ≤ 511.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine with MolForge

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Related Compounds

Tert-butyl 4-[6-[1-(cyclopentylcarbamoylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyridin-3-yl]piperazine-1-carboxylate
CID 58921530
Tert-butyl 4-[[[5-[4-(trifluoromethyl)anilino]pyridin-3-yl]amino]methyl]piperidine-1-carboxylate
CID 68216749
Tert-butyl 4-[5-(trifluoromethyl)pyridin-3-yl]piperazine-1-carboxylate;1-[5-(trifluoromethyl)pyridin-3-yl]piperazine
CID 87622024
[(1S,3S,5S)-3-(3-amino-4-pyridinyl)-5-(trifluoromethyl)cyclohexyl]carbamoyl N-[(1R,3S,5R)-3-(3-amino-4-pyridinyl)-5-(trifluoromethyl)cyclohexyl]-N-tert-butylcarbamate
CID 117901551
tert-butyl N-[(3S,5R)-1-[3-[[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methylamino]-4-pyridinyl]-5-methylpiperidin-3-yl]carbamate
CID 124100656
tert-butyl N-[(3S,5R)-1-[3-[[6-[4-(2-cyanopropan-2-yl)-2,6-difluorophenyl]-5-fluoro-2-pyridinyl]methylamino]-4-pyridinyl]-5-methylpiperidin-3-yl]carbamate
CID 124100657
tert-butyl N-[(3S,5R)-1-[3-[(6-cyclohexyl-5-fluoro-2-pyridinyl)methylamino]-4-pyridinyl]-5-methylpiperidin-3-yl]carbamate
CID 124100661
tert-butyl N-[(3S,5R)-1-[3-[[6-[2,6-difluoro-4-(oxan-4-yl)phenyl]-5-fluoro-2-pyridinyl]methylamino]-4-pyridinyl]-5-methylpiperidin-3-yl]carbamate
CID 124100662
tert-butyl N-[(3S,5R)-1-[3-[[6-(2,6-difluoro-4-morpholin-4-ylphenyl)-5-fluoro-2-pyridinyl]methylamino]-4-pyridinyl]-5-methylpiperidin-3-yl]carbamate
CID 124100798
tert-butyl N-[(3S,5R)-1-[3-[[6-[2,6-difluoro-4-(4-fluorooxan-4-yl)phenyl]-5-fluoro-2-pyridinyl]methylamino]-4-pyridinyl]-5-methylpiperidin-3-yl]carbamate
CID 124100801
tert-butyl N-[(3S,5R)-1-[3-[[6-[2,6-difluoro-4-(oxan-4-yl)phenyl]-5-fluoropyridin-2-yl]methylamino]pyridin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 124100802
tert-butyl N-[(1S,3R,5S)-3-[3-[[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methylamino]-4-pyridinyl]-5-methylcyclohexyl]carbamate
CID 124100817

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The IUPAC name of tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine (CID 160559900) is tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine is CC(C)(C)OC(=O)N1CCC(Nc2cncc(-c3ccncc3)c2)CC1.FC(F)(F)c1cccc(CNc2cncc(-c3ccncc3)c2)c1.c1cc(-c2cncc(NCC3CCCNC3)c2)ccn1.
What is the InChIKey of tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The InChIKey is QZEAADTVFLKNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.C18H14F3N3.C16H20N4/c1-20(2,3)26-19(25)24-10-6-17(7-11-24)23-18-12-16(13-22-14-18)15-4-8-21-9-5-15;19-18(20,21)16-3-1-2-13(8-16)10-24-17-9-15(11-23-12-17)14-4-6-22-7-5-14;1-2-13(9-18-5-1)10-20-16-8-15(11-19-12-16)14-3-6-17-7-4-14/h4-5,8-9,12-14,17,23H,6-7,10-11H2,1-3H3;1-9,11-12,24H,10H2;3-4,6-8,11-13,18,20H,1-2,5,9-10H2.
What are the key properties of tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine has a molecular weight of 952.14 g/mol, XLogP of 11.28, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-pyridin-4-yl-3-pyridinyl)amino]piperidine-1-carboxylate;N-(piperidin-3-ylmethyl)-5-pyridin-4-ylpyridin-3-amine;5-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 160559900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).