6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C21H24F3N5O — CID 134293594

IUPAC6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESC=C(/C=N\N(C)C)c1cc(C2CCOCC2)cc(Nc2cc(C(F)(F)F)ccn2)n1
InChIInChI=1S/C21H24F3N5O/c1-14(13-26-29(2)3)18-10-16(15-5-8-30-9-6-15)11-20(27-18)28-19-12-17(4-7-25-19)21(22,23)24/h4,7,10-13,15H,1,5-6,8-9H2,2-3H3,(H,25,27,28)/b26-13-
InChIKeyAFWOPAQGCXSPEL-ZMFRSBBQSA-N
MW419.45 g/mol
LogP4.69
Rot. Bonds6

About 6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 134293594) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is 6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID134293594
Molecular FormulaC21H24F3N5O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC Name6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESC=C(/C=N\N(C)C)c1cc(C2CCOCC2)cc(Nc2cc(C(F)(F)F)ccn2)n1
InChIInChI=1S/C21H24F3N5O/c1-14(13-26-29(2)3)18-10-16(15-5-8-30-9-6-15)11-20(27-18)28-19-12-17(4-7-25-19)21(22,23)24/h4,7,10-13,15H,1,5-6,8-9H2,2-3H3,(H,25,27,28)/b26-13-
InChIKeyAFWOPAQGCXSPEL-ZMFRSBBQSA-N
XLogP4.69
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90067501
2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 134170533
4-[1-(2-fluoroethyl)piperidin-4-yl]-6-[(2R)-2-methylpyrrolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90032623
[1-[5-[4-cyclopropyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxyethyl] cyclohexanecarboxylate
CID 123444678
6-(2-azabicyclo[3.1.0]hexan-2-yl)-N-(4-methyl-2-pyridinyl)-4-(oxan-4-yl)pyridin-2-amine
CID 90015475
N-[4-(trifluoromethyl)-2-pyridinyl]methanethioamide
CID 144695801
N-ethenyl-4-(trifluoromethyl)pyridin-2-amine
CID 142379561
6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 126703044
2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 134434319
6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 56947353
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 79839410
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104

Frequently Asked Questions

What is the IUPAC name of 6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 134293594) is 6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is C=C(/C=N\N(C)C)c1cc(C2CCOCC2)cc(Nc2cc(C(F)(F)F)ccn2)n1.
What is the InChIKey of 6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is AFWOPAQGCXSPEL-ZMFRSBBQSA-N. The full InChI is InChI=1S/C21H24F3N5O/c1-14(13-26-29(2)3)18-10-16(15-5-8-30-9-6-15)11-20(27-18)28-19-12-17(4-7-25-19)21(22,23)24/h4,7,10-13,15H,1,5-6,8-9H2,2-3H3,(H,25,27,28)/b26-13-.
What are the key properties of 6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 419.45 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 134293594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).