N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide

C26H33F3N4O3 — CID 169321627

IUPACN-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide
SMILESCc1c([C@@H](C)NC(=O)c2cn(C3CCOCC3)c(=O)cc2NC2CCNCC2)cccc1C(F)(F)F
InChIInChI=1S/C26H33F3N4O3/c1-16-20(4-3-5-22(16)26(27,28)29)17(2)31-25(35)21-15-33(19-8-12-36-13-9-19)24(34)14-23(21)32-18-6-10-30-11-7-18/h3-5,14-15,17-19,30,32H,6-13H2,1-2H3,(H,31,35)/t17-/m1/s1
InChIKeyLQFFVBUOBJZTNF-QGZVFWFLSA-N
MW506.57 g/mol
LogP4.18
Rot. Bonds6

About N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide

N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide (PubChem CID 169321627) has the molecular formula C26H33F3N4O3 and a molecular weight of 506.57 g/mol. Its IUPAC name is N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide
PubChem CID169321627
Molecular FormulaC26H33F3N4O3
Molecular Weight506.57 g/mol
Exact Mass506.25
IUPAC NameN-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide
SMILESCc1c([C@@H](C)NC(=O)c2cn(C3CCOCC3)c(=O)cc2NC2CCNCC2)cccc1C(F)(F)F
InChIInChI=1S/C26H33F3N4O3/c1-16-20(4-3-5-22(16)26(27,28)29)17(2)31-25(35)21-15-33(19-8-12-36-13-9-19)24(34)14-23(21)32-18-6-10-30-11-7-18/h3-5,14-15,17-19,30,32H,6-13H2,1-2H3,(H,31,35)/t17-/m1/s1
InChIKeyLQFFVBUOBJZTNF-QGZVFWFLSA-N
XLogP4.18
TPSA84.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.57
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[3-[fluoro-bis(phosphanyl)methyl]-2-methylphenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(pyrrolidin-3-ylamino)pyridine-3-carboxamide
CID 170360558
N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 169321687
3-[[5-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylcarbamoyl]-1-(oxan-4-yl)-2-oxo-4-pyridinyl]amino]azetidine-1-carboxylic acid
CID 170311747
4-[[(1S,3S)-3-hydroxycyclopentyl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide
CID 169321667
N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 169126699
4-[[(5R)-3-methyl-3-azabicyclo[3.2.1]octan-8-yl]amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide
CID 169126890
4-[2-(dimethylamino)ethylamino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide
CID 169126870
4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide
CID 169126847
tert-butyl 3,3-difluoro-4-[[5-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]carbamoyl]-1-(oxan-4-yl)-2-oxo-4-pyridinyl]amino]piperidine-1-carboxylate
CID 169126708
N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxamide
CID 175949853
ethane;N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-1-(oxan-4-yl)-6-oxo-4-piperidin-4-ylsulfanylpyridine-3-carboxamide
CID 169127047
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-fluoro-5-morpholin-4-yl-2-(piperidin-4-ylamino)benzamide
CID 176888794

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide (CID 169321627) is N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide is Cc1c([C@@H](C)NC(=O)c2cn(C3CCOCC3)c(=O)cc2NC2CCNCC2)cccc1C(F)(F)F.
What is the InChIKey of N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide?
The InChIKey is LQFFVBUOBJZTNF-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H33F3N4O3/c1-16-20(4-3-5-22(16)26(27,28)29)17(2)31-25(35)21-15-33(19-8-12-36-13-9-19)24(34)14-23(21)32-18-6-10-30-11-7-18/h3-5,14-15,17-19,30,32H,6-13H2,1-2H3,(H,31,35)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide?
N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide has a molecular weight of 506.57 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-1-(oxan-4-yl)-6-oxo-4-(piperidin-4-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 169321627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).