6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide

C25H29F3N4O3 — CID 70899849

IUPAC6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1OC(C)(C)C(=O)NC1CC2CCC(C1)N2c1ccc(C(N)=O)cn1
InChIInChI=1S/C25H29F3N4O3/c1-14-10-16(25(26,27)28)5-8-20(14)35-24(2,3)23(34)31-17-11-18-6-7-19(12-17)32(18)21-9-4-15(13-30-21)22(29)33/h4-5,8-10,13,17-19H,6-7,11-12H2,1-3H3,(H2,29,33)(H,31,34)
InChIKeyPZWAGQNLIMXSND-UHFFFAOYSA-N
MW490.53 g/mol
LogP3.98
Rot. Bonds6

About 6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide

6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide (PubChem CID 70899849) has the molecular formula C25H29F3N4O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is 6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
PubChem CID70899849
Molecular FormulaC25H29F3N4O3
Molecular Weight490.53 g/mol
Exact Mass490.22
IUPAC Name6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1OC(C)(C)C(=O)NC1CC2CCC(C1)N2c1ccc(C(N)=O)cn1
InChIInChI=1S/C25H29F3N4O3/c1-14-10-16(25(26,27)28)5-8-20(14)35-24(2,3)23(34)31-17-11-18-6-7-19(12-17)32(18)21-9-4-15(13-30-21)22(29)33/h4-5,8-10,13,17-19H,6-7,11-12H2,1-3H3,(H2,29,33)(H,31,34)
InChIKeyPZWAGQNLIMXSND-UHFFFAOYSA-N
XLogP3.98
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide (CID 70899849) is 6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide is Cc1cc(C(F)(F)F)ccc1OC(C)(C)C(=O)NC1CC2CCC(C1)N2c1ccc(C(N)=O)cn1.
What is the InChIKey of 6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide?
The InChIKey is PZWAGQNLIMXSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O3/c1-14-10-16(25(26,27)28)5-8-20(14)35-24(2,3)23(34)31-17-11-18-6-7-19(12-17)32(18)21-9-4-15(13-30-21)22(29)33/h4-5,8-10,13,17-19H,6-7,11-12H2,1-3H3,(H2,29,33)(H,31,34).
What are the key properties of 6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide?
6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide has a molecular weight of 490.53 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[2-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]propanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70899849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).