2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid

C24H29F3N4O2 — CID 78043391

IUPAC2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CCCCC2NC2CCCN(c3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C24H29F3N4O2/c25-24(26,27)17-7-9-19(10-8-17)31-13-3-4-18(15-31)29-20-5-1-2-6-21(20)30-22-14-16(23(32)33)11-12-28-22/h7-12,14,18,20-21,29H,1-6,13,15H2,(H,28,30)(H,32,33)
InChIKeyAIDNVFCNIQWMEH-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.78
Rot. Bonds6

About 2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid

2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid (PubChem CID 78043391) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid
PubChem CID78043391
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CCCCC2NC2CCCN(c3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C24H29F3N4O2/c25-24(26,27)17-7-9-19(10-8-17)31-13-3-4-18(15-31)29-20-5-1-2-6-21(20)30-22-14-16(23(32)33)11-12-28-22/h7-12,14,18,20-21,29H,1-6,13,15H2,(H,28,30)(H,32,33)
InChIKeyAIDNVFCNIQWMEH-UHFFFAOYSA-N
XLogP4.78
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid with MolForge

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Related Compounds

1-[1-[2-[[(1R,2R)-2-[[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]ethenylamino]ethenethiol
CID 89394061
N-cyclopentyl-3-[2-[[(1R,2R)-2-[[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide
CID 71233152
ethenyl N-[1-[2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]ethenyl]ethanimidothioate
CID 123291680
trans-(1R,2R)-2-N-[4-[3-(dimethylamino)phenyl]-2-pyridinyl]-1-N-[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71233169
(1R)-2-N-[4-(3-pyrrolidin-2-ylphenyl)-2-pyridinyl]-1-N-[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 144513401
2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyrimidine-4-carbonitrile
CID 78043328
2-[[(1R,2R)-2-[[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyrimidine-4-carbonitrile
CID 71233261
trans-(1R,2R)-1-N-[(3S)-1-(4-aminophenyl)piperidin-3-yl]-2-N-[4-(4-aminophenyl)-2-pyridinyl]cyclohexane-1,2-diamine
CID 89394068
4-pyridin-4-yl-N-[(1R,2S)-2-[[(3R)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]cyclohexyl]pyridin-2-amine
CID 146829053
1-(4-chlorophenyl)-3-[(1R,2R)-2-[[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]urea
CID 71235640
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]urea
CID 123268230
4-[3-[[(1R,2R)-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]cyclohexyl]amino]piperidin-1-yl]benzonitrile
CID 71233430

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid (CID 78043391) is 2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NC2CCCCC2NC2CCCN(c3ccc(C(F)(F)F)cc3)C2)c1.
What is the InChIKey of 2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid?
The InChIKey is AIDNVFCNIQWMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c25-24(26,27)17-7-9-19(10-8-17)31-13-3-4-18(15-31)29-20-5-1-2-6-21(20)30-22-14-16(23(32)33)11-12-28-22/h7-12,14,18,20-21,29H,1-6,13,15H2,(H,28,30)(H,32,33).
What are the key properties of 2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid?
2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid has a molecular weight of 462.52 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 78043391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).