N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

C25H29F3N6O2 — CID 54769957

IUPACN-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
SMILESO=C1C=CCC(C2CCC(N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)N1
InChIInChI=1S/C25H29F3N6O2/c26-25(27,28)16-6-9-21-19(10-16)24(31-14-30-21)29-11-23(36)32-17-12-34(13-17)18-7-4-15(5-8-18)20-2-1-3-22(35)33-20/h1,3,6,9-10,14-15,17-18,20H,2,4-5,7-8,11-13H2,(H,32,36)(H,33,35)(H,29,30,31)
InChIKeyRFKJNPIHHOIIIS-UHFFFAOYSA-N
MW502.54 g/mol
LogP2.86
Rot. Bonds6

About N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (PubChem CID 54769957) has the molecular formula C25H29F3N6O2 and a molecular weight of 502.54 g/mol. Its IUPAC name is N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
PubChem CID54769957
Molecular FormulaC25H29F3N6O2
Molecular Weight502.54 g/mol
Exact Mass502.23
IUPAC NameN-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
SMILESO=C1C=CCC(C2CCC(N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)N1
InChIInChI=1S/C25H29F3N6O2/c26-25(27,28)16-6-9-21-19(10-16)24(31-14-30-21)29-11-23(36)32-17-12-34(13-17)18-7-4-15(5-8-18)20-2-1-3-22(35)33-20/h1,3,6,9-10,14-15,17-18,20H,2,4-5,7-8,11-13H2,(H,32,36)(H,33,35)(H,29,30,31)
InChIKeyRFKJNPIHHOIIIS-UHFFFAOYSA-N
XLogP2.86
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (CID 54769957) is N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is O=C1C=CCC(C2CCC(N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)N1.
What is the InChIKey of N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The InChIKey is RFKJNPIHHOIIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O2/c26-25(27,28)16-6-9-21-19(10-16)24(31-14-30-21)29-11-23(36)32-17-12-34(13-17)18-7-4-15(5-8-18)20-2-1-3-22(35)33-20/h1,3,6,9-10,14-15,17-18,20H,2,4-5,7-8,11-13H2,(H,32,36)(H,33,35)(H,29,30,31).
What are the key properties of N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide has a molecular weight of 502.54 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(6-oxo-2,3-dihydro-1H-pyridin-2-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is sourced from PubChem (CID 54769957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).