N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C24H27F3N4O3 — CID 46241829

IUPACN-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(O)(c3cccnc3)CC2)C1
InChIInChI=1S/C24H27F3N4O3/c25-24(26,27)17-4-1-3-16(11-17)22(33)29-13-21(32)30-19-14-31(15-19)20-6-8-23(34,9-7-20)18-5-2-10-28-12-18/h1-5,10-12,19-20,34H,6-9,13-15H2,(H,29,33)(H,30,32)
InChIKeyYBQZLWPFQRLDTC-UHFFFAOYSA-N
MW476.50 g/mol
LogP2.46
Rot. Bonds6

About N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 46241829) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID46241829
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC NameN-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(O)(c3cccnc3)CC2)C1
InChIInChI=1S/C24H27F3N4O3/c25-24(26,27)17-4-1-3-16(11-17)22(33)29-13-21(32)30-19-14-31(15-19)20-6-8-23(34,9-7-20)18-5-2-10-28-12-18/h1-5,10-12,19-20,34H,6-9,13-15H2,(H,29,33)(H,30,32)
InChIKeyYBQZLWPFQRLDTC-UHFFFAOYSA-N
XLogP2.46
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 46241829) is N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(O)(c3cccnc3)CC2)C1.
What is the InChIKey of N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is YBQZLWPFQRLDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c25-24(26,27)17-4-1-3-16(11-17)22(33)29-13-21(32)30-19-14-31(15-19)20-6-8-23(34,9-7-20)18-5-2-10-28-12-18/h1-5,10-12,19-20,34H,6-9,13-15H2,(H,29,33)(H,30,32).
What are the key properties of N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 476.50 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46241829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).