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

C19H16F5N5O — CID 146525794

IUPACN-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@H]1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(C#N)c2)CCC1(F)F
InChIInChI=1S/C19H16F5N5O/c1-11-10-29(5-3-18(11,20)21)16-15(6-12(9-27-16)19(22,23)24)17(30)28-13-2-4-26-14(7-13)8-25/h2,4,6-7,9,11H,3,5,10H2,1H3,(H,26,28,30)/t11-/m0/s1
InChIKeyXQEWHTPPAWOCPP-NSHDSACASA-N
MW425.36 g/mol
LogP4.10
Rot. Bonds3

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

N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525794) has the molecular formula C19H16F5N5O and a molecular weight of 425.36 g/mol. Its IUPAC name is N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525794
Molecular FormulaC19H16F5N5O
Molecular Weight425.36 g/mol
Exact Mass425.13
IUPAC NameN-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@H]1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(C#N)c2)CCC1(F)F
InChIInChI=1S/C19H16F5N5O/c1-11-10-29(5-3-18(11,20)21)16-15(6-12(9-27-16)19(22,23)24)17(30)28-13-2-4-26-14(7-13)8-25/h2,4,6-7,9,11H,3,5,10H2,1H3,(H,26,28,30)/t11-/m0/s1
InChIKeyXQEWHTPPAWOCPP-NSHDSACASA-N
XLogP4.10
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;methanol;methylsulfanylmethane
CID 176694650
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 153490298
2-(3-cyanopyrrolidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525806
2-[(3R)-3-cyanopyrrolidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525803
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525749
methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate
CID 169264103
2-(4,4-difluoropiperidin-1-yl)-N-(6-oxo-1H-pyrimidin-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525696
tert-butyl N-[[4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]sulfonyl]carbamate
CID 156902015
2-(4,4-difluoro-3-methylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 158871475
2-[(1S,5R)-3-azabicyclo[3.2.0]heptan-3-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525717
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 169264214
2-(5,5-difluoro-2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146576274

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525794) is N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is C[C@H]1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(C#N)c2)CCC1(F)F.
What is the InChIKey of N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XQEWHTPPAWOCPP-NSHDSACASA-N. The full InChI is InChI=1S/C19H16F5N5O/c1-11-10-29(5-3-18(11,20)21)16-15(6-12(9-27-16)19(22,23)24)17(30)28-13-2-4-26-14(7-13)8-25/h2,4,6-7,9,11H,3,5,10H2,1H3,(H,26,28,30)/t11-/m0/s1.
What are the key properties of N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 425.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).