(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C21H23F3N4O2 — CID 90443658

IUPAC(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C21H23F3N4O2/c1-3-30-17-8-4-12(2)26-19(17)20(29)28-14-6-7-16(28)15(10-14)27-18-9-5-13(11-25-18)21(22,23)24/h4-5,8-9,11,14-16H,3,6-7,10H2,1-2H3,(H,25,27)
InChIKeyNGYNPBUGQHTGCA-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.06
Rot. Bonds5

About (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 90443658) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID90443658
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C21H23F3N4O2/c1-3-30-17-8-4-12(2)26-19(17)20(29)28-14-6-7-16(28)15(10-14)27-18-9-5-13(11-25-18)21(22,23)24/h4-5,8-9,11,14-16H,3,6-7,10H2,1-2H3,(H,25,27)
InChIKeyNGYNPBUGQHTGCA-UHFFFAOYSA-N
XLogP4.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

Dgat1-IN-3
CID 16757107
[(1R,4S,6R)-4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]-(6-methyl-3-propoxy-2-pyridinyl)methanone
CID 46218796
(6-methyl-3-propoxypyridin-2-yl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 46218797
(3-ethoxy-6-methylpyridin-2-yl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 46218798
(3-ethoxy-6-methyl-2-pyridinyl)-[(1R,4S,6R)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 46218917
[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 46218918
[4-[(3-ethoxy-2-pyridyl)-methyl-amino]-1-piperidyl]-(1H-indol-2-yl)methanone
CID 468316
1H-indol-2-yl-[4-[(3-isopropoxy-2-pyridyl)-methyl-amino]-1-piperidyl]methanone
CID 468317
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757011
(2-aminopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanone
CID 24994728
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid[6-(3-Ethoxyazetidin-1-yl)pyridin-3-yl]amide
CID 52936727
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid[6-(4-Cyclopropanecarbonylpiperazin-1-yl)pyridin-3-yl]-amide
CID 52936731

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 90443658) is (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2.
What is the InChIKey of (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is NGYNPBUGQHTGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-3-30-17-8-4-12(2)26-19(17)20(29)28-14-6-7-16(28)15(10-14)27-18-9-5-13(11-25-18)21(22,23)24/h4-5,8-9,11,14-16H,3,6-7,10H2,1-2H3,(H,25,27).
What are the key properties of (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 420.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 90443658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).