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

C24H27F3N4O3 — CID 66750409

IUPACN-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(=O)N(C1CCC(c2ncccc2O)CC1)C1CNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H27F3N4O3/c25-24(26,27)17-4-1-3-16(11-17)23(34)30-14-21(33)31(19-12-28-13-19)18-8-6-15(7-9-18)22-20(32)5-2-10-29-22/h1-5,10-11,15,18-19,28,32H,6-9,12-14H2,(H,30,34)
InChIKeyPQTQQSMSVNVWFZ-UHFFFAOYSA-N
MW476.50 g/mol
LogP3.06
Rot. Bonds6

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

N-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 66750409) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID66750409
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC NameN-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(=O)N(C1CCC(c2ncccc2O)CC1)C1CNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H27F3N4O3/c25-24(26,27)17-4-1-3-16(11-17)23(34)30-14-21(33)31(19-12-28-13-19)18-8-6-15(7-9-18)22-20(32)5-2-10-29-22/h1-5,10-11,15,18-19,28,32H,6-9,12-14H2,(H,30,34)
InChIKeyPQTQQSMSVNVWFZ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 66750409) is N-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is O=C(NCC(=O)N(C1CCC(c2ncccc2O)CC1)C1CNC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PQTQQSMSVNVWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c25-24(26,27)17-4-1-3-16(11-17)23(34)30-14-21(33)31(19-12-28-13-19)18-8-6-15(7-9-18)22-20(32)5-2-10-29-22/h1-5,10-11,15,18-19,28,32H,6-9,12-14H2,(H,30,34).
What are the key properties of N-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 476.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[azetidin-3-yl-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 66750409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).