N-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C25H29F3N4O3 — CID 46947818

IUPACN-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCC1=NC(=C(C=C1)O)C2CCC(CC2)N3CC(C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F
InChIInChI=1S/C25H29F3N4O3/c1-15-5-10-21(33)23(30-15)16-6-8-20(9-7-16)32-13-19(14-32)31-22(34)12-29-24(35)17-3-2-4-18(11-17)25(26,27)28/h2-5,10-11,16,19-20,33H,6-9,12-14H2,1H3,(H,29,35)(H,31,34)
InChIKeyZKEPOUHFWZULPQ-UHFFFAOYSA-N
MW490.50 g/mol
LogP3.30
Rot. Bonds6

About N-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 46947818) has the molecular formula C25H29F3N4O3 and a molecular weight of 490.50 g/mol. Its IUPAC name is N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID46947818
Molecular FormulaC25H29F3N4O3
Molecular Weight490.50 g/mol
Exact Mass490.22
IUPAC NameN-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCC1=NC(=C(C=C1)O)C2CCC(CC2)N3CC(C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F
InChIInChI=1S/C25H29F3N4O3/c1-15-5-10-21(33)23(30-15)16-6-8-20(9-7-16)32-13-19(14-32)31-22(34)12-29-24(35)17-3-2-4-18(11-17)25(26,27)28/h2-5,10-11,16,19-20,33H,6-9,12-14H2,1H3,(H,29,35)(H,31,34)
InChIKeyZKEPOUHFWZULPQ-UHFFFAOYSA-N
XLogP3.30
TPSA94.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity738

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 46947818) is N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is CC1=NC(=C(C=C1)O)C2CCC(CC2)N3CC(C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F.
What is the InChIKey of N-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZKEPOUHFWZULPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O3/c1-15-5-10-21(33)23(30-15)16-6-8-20(9-7-16)32-13-19(14-32)31-22(34)12-29-24(35)17-3-2-4-18(11-17)25(26,27)28/h2-5,10-11,16,19-20,33H,6-9,12-14H2,1H3,(H,29,35)(H,31,34).
What are the key properties of N-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 490.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46947818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).