N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide

C26H24F3N5O — CID 11583810

IUPACN-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide
SMILESN#Cc1cc(CN2CCC(C(F)(F)F)CC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C26H24F3N5O/c27-26(28,29)21-9-11-34(12-10-21)16-17-13-20(14-30)24(32-15-17)18-5-7-19(8-6-18)25(35)33-23-4-2-1-3-22(23)31/h1-8,13,15,21H,9-12,16,31H2,(H,33,35)
InChIKeyNFMUKCXQGBRQKR-UHFFFAOYSA-N
MW479.51 g/mol
LogP5.23
Rot. Bonds5

About N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide

N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide (PubChem CID 11583810) has the molecular formula C26H24F3N5O and a molecular weight of 479.51 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide
PubChem CID11583810
Molecular FormulaC26H24F3N5O
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC NameN-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide
SMILESN#Cc1cc(CN2CCC(C(F)(F)F)CC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C26H24F3N5O/c27-26(28,29)21-9-11-34(12-10-21)16-17-13-20(14-30)24(32-15-17)18-5-7-19(8-6-18)25(35)33-23-4-2-1-3-22(23)31/h1-8,13,15,21H,9-12,16,31H2,(H,33,35)
InChIKeyNFMUKCXQGBRQKR-UHFFFAOYSA-N
XLogP5.23
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.51
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-[3-cyano-5-[[3-(4-fluorophenyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide
CID 67269461
N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 11495172
tert-butyl N-[2-[[4-[3-cyano-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]benzoyl]amino]phenyl]carbamate
CID 86624986
N-(2-aminophenyl)-4-[3-cyano-5-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]-2-pyridinyl]benzamide
CID 67269909
N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11530585
N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
CID 171354291
N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide
CID 11538465
N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11718037
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-[[4-[[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752368
N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide
CID 163507029
N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide
CID 11632795

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide (CID 11583810) is N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide is N#Cc1cc(CN2CCC(C(F)(F)F)CC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide?
The InChIKey is NFMUKCXQGBRQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O/c27-26(28,29)21-9-11-34(12-10-21)16-17-13-20(14-30)24(32-15-17)18-5-7-19(8-6-18)25(35)33-23-4-2-1-3-22(23)31/h1-8,13,15,21H,9-12,16,31H2,(H,33,35).
What are the key properties of N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide?
N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide has a molecular weight of 479.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 11583810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).