2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C19H19F5N4O3S — CID 146525720

IUPAC2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@H]1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(C)(=O)=O)c2)CCC1(F)F
InChIInChI=1S/C19H19F5N4O3S/c1-11-10-28(6-4-18(11,20)21)16-14(7-12(9-26-16)19(22,23)24)17(29)27-13-3-5-25-15(8-13)32(2,30)31/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,25,27,29)/t11-/m0/s1
InChIKeyNMPPLKOGTILPOH-NSHDSACASA-N
MW478.44 g/mol
LogP3.63
Rot. Bonds4

About 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525720) has the molecular formula C19H19F5N4O3S and a molecular weight of 478.44 g/mol. Its IUPAC name is 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525720
Molecular FormulaC19H19F5N4O3S
Molecular Weight478.44 g/mol
Exact Mass478.11
IUPAC Name2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@H]1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(C)(=O)=O)c2)CCC1(F)F
InChIInChI=1S/C19H19F5N4O3S/c1-11-10-28(6-4-18(11,20)21)16-14(7-12(9-26-16)19(22,23)24)17(29)27-13-3-5-25-15(8-13)32(2,30)31/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,25,27,29)/t11-/m0/s1
InChIKeyNMPPLKOGTILPOH-NSHDSACASA-N
XLogP3.63
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
CID 90153688
6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
CID 118072307
5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525835
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525892
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525929
6-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146526013
Dipyridodiazepinone deriv. 38
CID 463558
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 155517004
6-[(5-Fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 155546008
5-[2-[[4-(4-methylsulfonylpiperazin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 57404485
5-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525741

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525720) is 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is C[C@H]1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(C)(=O)=O)c2)CCC1(F)F.
What is the InChIKey of 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NMPPLKOGTILPOH-NSHDSACASA-N. The full InChI is InChI=1S/C19H19F5N4O3S/c1-11-10-28(6-4-18(11,20)21)16-14(7-12(9-26-16)19(22,23)24)17(29)27-13-3-5-25-15(8-13)32(2,30)31/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,25,27,29)/t11-/m0/s1.
What are the key properties of 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 478.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).