N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide

C28H24F3N5O3 — CID 171681681

IUPACN-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)c3cccc(OCC(F)(F)F)n3)CC2)cc1)c1ccnc2ncccc12
InChIInChI=1S/C28H24F3N5O3/c29-28(30,31)17-39-24-5-1-4-23(35-24)27(38)36-15-11-19(12-16-36)18-6-8-20(9-7-18)34-26(37)22-10-14-33-25-21(22)3-2-13-32-25/h1-10,13-14,19H,11-12,15-17H2,(H,34,37)
InChIKeyGCYVLWJVSZDVNX-UHFFFAOYSA-N
MW535.53 g/mol
LogP5.24
Rot. Bonds6

About N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide

N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide (PubChem CID 171681681) has the molecular formula C28H24F3N5O3 and a molecular weight of 535.53 g/mol. Its IUPAC name is N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide
PubChem CID171681681
Molecular FormulaC28H24F3N5O3
Molecular Weight535.53 g/mol
Exact Mass535.18
IUPAC NameN-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)c3cccc(OCC(F)(F)F)n3)CC2)cc1)c1ccnc2ncccc12
InChIInChI=1S/C28H24F3N5O3/c29-28(30,31)17-39-24-5-1-4-23(35-24)27(38)36-15-11-19(12-16-36)18-6-8-20(9-7-18)34-26(37)22-10-14-33-25-21(22)3-2-13-32-25/h1-10,13-14,19H,11-12,15-17H2,(H,34,37)
InChIKeyGCYVLWJVSZDVNX-UHFFFAOYSA-N
XLogP5.24
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171683860
4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid
CID 120526153
(3S)-3-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]phenyl]pyrrolidine-1-carboxylic acid
CID 151388230
N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide
CID 171678139
N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
CID 171681554
4-[4-[[1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylic acid
CID 66738687
2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171698533
N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171681203
N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 56796102
2-phenyl-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperazin-1-yl]acetonitrile
CID 75421843
4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylic acid
CID 174620569
N'-(2,6-dimethylphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]oxamide
CID 171683936

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide?
The IUPAC name of N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide (CID 171681681) is N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide is O=C(Nc1ccc(C2CCN(C(=O)c3cccc(OCC(F)(F)F)n3)CC2)cc1)c1ccnc2ncccc12.
What is the InChIKey of N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide?
The InChIKey is GCYVLWJVSZDVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O3/c29-28(30,31)17-39-24-5-1-4-23(35-24)27(38)36-15-11-19(12-16-36)18-6-8-20(9-7-18)34-26(37)22-10-14-33-25-21(22)3-2-13-32-25/h1-10,13-14,19H,11-12,15-17H2,(H,34,37).
What are the key properties of N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide?
N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide has a molecular weight of 535.53 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 171681681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).