N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide

C25H30F3N5O — CID 59541851

IUPACN-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide
SMILESC=C(NCC(=O)NC1CN(C2CCC(c3cc(N)ccn3)CC2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H30F3N5O/c1-16(18-3-2-4-19(11-18)25(26,27)28)31-13-24(34)32-21-14-33(15-21)22-7-5-17(6-8-22)23-12-20(29)9-10-30-23/h2-4,9-12,17,21-22,31H,1,5-8,13-15H2,(H2,29,30)(H,32,34)
InChIKeyAQGRFVAEPDYHJA-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.77
Rot. Bonds7

About N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide

N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide (PubChem CID 59541851) has the molecular formula C25H30F3N5O and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide
PubChem CID59541851
Molecular FormulaC25H30F3N5O
Molecular Weight473.54 g/mol
Exact Mass473.24
IUPAC NameN-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide
SMILESC=C(NCC(=O)NC1CN(C2CCC(c3cc(N)ccn3)CC2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H30F3N5O/c1-16(18-3-2-4-19(11-18)25(26,27)28)31-13-24(34)32-21-14-33(15-21)22-7-5-17(6-8-22)23-12-20(29)9-10-30-23/h2-4,9-12,17,21-22,31H,1,5-8,13-15H2,(H2,29,30)(H,32,34)
InChIKeyAQGRFVAEPDYHJA-UHFFFAOYSA-N
XLogP3.77
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[1-[4-(5-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46945255
N-[2-[[1-[4-(5-acetamido-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46945051
N-[2-[[1-[4-(4-carbamoylphenyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 91384386
N-[2-[[4-hydroxy-1-(4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 66788283
N-[2-[[1-[4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46927117
N-[2-[[1-[4-hydroxy-4-(1,3-oxazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46241121
N-[2-[[1-[4-(5-ethenylpyrimidin-2-yl)oxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 91095016
N-[2-[[(3R)-1-cyclohexylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 154542142
N-[2-[[1-(4-hydroxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide
CID 118349248
N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 159698163
N-[2-[[1-[4-[methyl(3-oxobutanoyl)amino]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 91513534
N-[2-[[(3R)-1-(4-hydroxy-4-pyrimidin-4-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 57391768

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide?
The IUPAC name of N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide (CID 59541851) is N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide.
What is the SMILES notation for N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide?
The canonical SMILES for N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide is C=C(NCC(=O)NC1CN(C2CCC(c3cc(N)ccn3)CC2)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide?
The InChIKey is AQGRFVAEPDYHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O/c1-16(18-3-2-4-19(11-18)25(26,27)28)31-13-24(34)32-21-14-33(15-21)22-7-5-17(6-8-22)23-12-20(29)9-10-30-23/h2-4,9-12,17,21-22,31H,1,5-8,13-15H2,(H2,29,30)(H,32,34).
What are the key properties of N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide?
N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide has a molecular weight of 473.54 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide is sourced from PubChem (CID 59541851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).