6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone

C17H18N2O — CID 105115479

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)C2CCc3cccnc32)c1
InChIInChI=1S/C17H18N2O/c1-19(2)14-7-3-5-13(11-14)17(20)15-9-8-12-6-4-10-18-16(12)15/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyKEVSVZXXYSGCRD-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.06
Rot. Bonds3

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone (PubChem CID 105115479) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone
PubChem CID105115479
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)C2CCc3cccnc32)c1
InChIInChI=1S/C17H18N2O/c1-19(2)14-7-3-5-13(11-14)17(20)15-9-8-12-6-4-10-18-16(12)15/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyKEVSVZXXYSGCRD-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone
CID 79732735
(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79745802
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783640
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone
CID 105115340
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone
CID 115783796
(3-chlorothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783692
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 122134812
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone
CID 115783768
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone (CID 105115479) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)C2CCc3cccnc32)c1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone?
The InChIKey is KEVSVZXXYSGCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19(2)14-7-3-5-13(11-14)17(20)15-9-8-12-6-4-10-18-16(12)15/h3-7,10-11,15H,8-9H2,1-2H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone has a molecular weight of 266.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 105115479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).