N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C27H26F3N3O — CID 146720800

IUPACN-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(c1ccc(-c2ccc3c(n2)CC=C3NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1)N(C)C
InChIInChI=1S/C27H26F3N3O/c1-17(33(2)3)19-6-8-20(9-7-19)23-13-12-22-24(31-23)14-15-25(22)32-26(34)16-18-4-10-21(11-5-18)27(28,29)30/h4-13,15,17H,14,16H2,1-3H3,(H,32,34)
InChIKeyREWBUDJVDJBHNN-UHFFFAOYSA-N
MW465.52 g/mol
LogP5.65
Rot. Bonds6

About N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 146720800) has the molecular formula C27H26F3N3O and a molecular weight of 465.52 g/mol. Its IUPAC name is N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID146720800
Molecular FormulaC27H26F3N3O
Molecular Weight465.52 g/mol
Exact Mass465.20
IUPAC NameN-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(c1ccc(-c2ccc3c(n2)CC=C3NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1)N(C)C
InChIInChI=1S/C27H26F3N3O/c1-17(33(2)3)19-6-8-20(9-7-19)23-13-12-22-24(31-23)14-15-25(22)32-26(34)16-18-4-10-21(11-5-18)27(28,29)30/h4-13,15,17H,14,16H2,1-3H3,(H,32,34)
InChIKeyREWBUDJVDJBHNN-UHFFFAOYSA-N
XLogP5.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.52
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 146720800) is N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is CC(c1ccc(-c2ccc3c(n2)CC=C3NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1)N(C)C.
What is the InChIKey of N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is REWBUDJVDJBHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O/c1-17(33(2)3)19-6-8-20(9-7-19)23-13-12-22-24(31-23)14-15-25(22)32-26(34)16-18-4-10-21(11-5-18)27(28,29)30/h4-13,15,17H,14,16H2,1-3H3,(H,32,34).
What are the key properties of N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 465.52 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(dimethylamino)ethyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 146720800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).