4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane

C24H27F3N4O — CID 143399610

IUPAC4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane
SMILESC.C=C(c1cccnc1N)C(CCO)c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C23H23F3N4O.CH4/c1-15(20-3-2-11-28-22(20)27)19(10-12-31)17-6-9-21(30-14-17)29-13-16-4-7-18(8-5-16)23(24,25)26;/h2-9,11,14,19,31H,1,10,12-13H2,(H2,27,28)(H,29,30);1H4
InChIKeyFHNPDELOONLDGK-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.51
Rot. Bonds8

About 4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane

4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane (PubChem CID 143399610) has the molecular formula C24H27F3N4O and a molecular weight of 444.50 g/mol. Its IUPAC name is 4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane.

Molecular Properties

Compound Name4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane
PubChem CID143399610
Molecular FormulaC24H27F3N4O
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC Name4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane
SMILESC.C=C(c1cccnc1N)C(CCO)c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C23H23F3N4O.CH4/c1-15(20-3-2-11-28-22(20)27)19(10-12-31)17-6-9-21(30-14-17)29-13-16-4-7-18(8-5-16)23(24,25)26;/h2-9,11,14,19,31H,1,10,12-13H2,(H2,27,28)(H,29,30);1H4
InChIKeyFHNPDELOONLDGK-UHFFFAOYSA-N
XLogP5.51
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane with MolForge

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Related Compounds

2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
CID 80652487
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine
CID 11778514
1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone
CID 11632642
1-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]ethanol
CID 66970896
5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 511956
N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107875191
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113012936
N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
CID 71432458
1-(4-aminophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 60876066
(2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 100650710
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane?
The IUPAC name of 4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane (CID 143399610) is 4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane.
What is the SMILES notation for 4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane?
The canonical SMILES for 4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane is C.C=C(c1cccnc1N)C(CCO)c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane?
The InChIKey is FHNPDELOONLDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O.CH4/c1-15(20-3-2-11-28-22(20)27)19(10-12-31)17-6-9-21(30-14-17)29-13-16-4-7-18(8-5-16)23(24,25)26;/h2-9,11,14,19,31H,1,10,12-13H2,(H2,27,28)(H,29,30);1H4.
What are the key properties of 4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane?
4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane has a molecular weight of 444.50 g/mol, XLogP of 5.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane is sourced from PubChem (CID 143399610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).