trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide

C26H28F3N5O2 — CID 71003470

IUPACtrans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc([C@]3(O)CC[C@H](C(N)=O)C(C)(C)C3)nc2)c1
InChIInChI=1S/C26H28F3N5O2/c1-15-10-19(33-22(11-15)34-21-12-17(7-9-31-21)26(27,28)29)16-4-5-20(32-13-16)25(36)8-6-18(23(30)35)24(2,3)14-25/h4-5,7,9-13,18,36H,6,8,14H2,1-3H3,(H2,30,35)(H,31,33,34)/t18-,25+/m1/s1
InChIKeyRUNJNHWYXKSNCA-CJAUYULYSA-N
MW499.54 g/mol
LogP5.11
Rot. Bonds5

About trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide

trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 71003470) has the molecular formula C26H28F3N5O2 and a molecular weight of 499.54 g/mol. Its IUPAC name is trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide
PubChem CID71003470
Molecular FormulaC26H28F3N5O2
Molecular Weight499.54 g/mol
Exact Mass499.22
IUPAC Nametrans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc([C@]3(O)CC[C@H](C(N)=O)C(C)(C)C3)nc2)c1
InChIInChI=1S/C26H28F3N5O2/c1-15-10-19(33-22(11-15)34-21-12-17(7-9-31-21)26(27,28)29)16-4-5-20(32-13-16)25(36)8-6-18(23(30)35)24(2,3)14-25/h4-5,7,9-13,18,36H,6,8,14H2,1-3H3,(H2,30,35)(H,31,33,34)/t18-,25+/m1/s1
InChIKeyRUNJNHWYXKSNCA-CJAUYULYSA-N
XLogP5.11
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.54
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide (CID 71003470) is trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc([C@]3(O)CC[C@H](C(N)=O)C(C)(C)C3)nc2)c1.
What is the InChIKey of trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is RUNJNHWYXKSNCA-CJAUYULYSA-N. The full InChI is InChI=1S/C26H28F3N5O2/c1-15-10-19(33-22(11-15)34-21-12-17(7-9-31-21)26(27,28)29)16-4-5-20(32-13-16)25(36)8-6-18(23(30)35)24(2,3)14-25/h4-5,7,9-13,18,36H,6,8,14H2,1-3H3,(H2,30,35)(H,31,33,34)/t18-,25+/m1/s1.
What are the key properties of trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide?
trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 5.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 71003470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).