2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide

C19H18F3N3O — CID 157139945

IUPAC2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide
SMILESCC1=C(C(F)(F)F)c2cc(-c3ccc(N)c(C(=O)N(C)C)c3)cnc2C1
InChIInChI=1S/C19H18F3N3O/c1-10-6-16-14(17(10)19(20,21)22)8-12(9-24-16)11-4-5-15(23)13(7-11)18(26)25(2)3/h4-5,7-9H,6,23H2,1-3H3
InChIKeyFTZHIYVSTBEKCJ-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.92
Rot. Bonds2

About 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide

2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide (PubChem CID 157139945) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide
PubChem CID157139945
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide
SMILESCC1=C(C(F)(F)F)c2cc(-c3ccc(N)c(C(=O)N(C)C)c3)cnc2C1
InChIInChI=1S/C19H18F3N3O/c1-10-6-16-14(17(10)19(20,21)22)8-12(9-24-16)11-4-5-15(23)13(7-11)18(26)25(2)3/h4-5,7-9H,6,23H2,1-3H3
InChIKeyFTZHIYVSTBEKCJ-UHFFFAOYSA-N
XLogP3.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide?
The IUPAC name of 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide (CID 157139945) is 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide?
The canonical SMILES for 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide is CC1=C(C(F)(F)F)c2cc(-c3ccc(N)c(C(=O)N(C)C)c3)cnc2C1.
What is the InChIKey of 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide?
The InChIKey is FTZHIYVSTBEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-10-6-16-14(17(10)19(20,21)22)8-12(9-24-16)11-4-5-15(23)13(7-11)18(26)25(2)3/h4-5,7-9H,6,23H2,1-3H3.
What are the key properties of 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide?
2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide has a molecular weight of 361.37 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-5-[6-methyl-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-3-yl]benzamide is sourced from PubChem (CID 157139945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).