N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C25H29F3N4O3 — CID 46944853

IUPACN-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1
InChIInChI=1S/C25H29F3N4O3/c1-35-23-12-17(9-10-29-23)16-5-7-21(8-6-16)32-14-20(15-32)31-22(33)13-30-24(34)18-3-2-4-19(11-18)25(26,27)28/h2-4,9-12,16,20-21H,5-8,13-15H2,1H3,(H,30,34)(H,31,33)
InChIKeyKTQOBGHRYHVWCO-UHFFFAOYSA-N
MW490.53 g/mol
LogP3.37
Rot. Bonds7

About N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 46944853) has the molecular formula C25H29F3N4O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID46944853
Molecular FormulaC25H29F3N4O3
Molecular Weight490.53 g/mol
Exact Mass490.22
IUPAC NameN-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1
InChIInChI=1S/C25H29F3N4O3/c1-35-23-12-17(9-10-29-23)16-5-7-21(8-6-16)32-14-20(15-32)31-22(33)13-30-24(34)18-3-2-4-19(11-18)25(26,27)28/h2-4,9-12,16,20-21H,5-8,13-15H2,1H3,(H,30,34)(H,31,33)
InChIKeyKTQOBGHRYHVWCO-UHFFFAOYSA-N
XLogP3.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 46944853) is N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is COc1cc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1.
What is the InChIKey of N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KTQOBGHRYHVWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O3/c1-35-23-12-17(9-10-29-23)16-5-7-21(8-6-16)32-14-20(15-32)31-22(33)13-30-24(34)18-3-2-4-19(11-18)25(26,27)28/h2-4,9-12,16,20-21H,5-8,13-15H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 490.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[4-(2-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46944853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).