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

C15H14N2O — CID 105115340

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2CCc3cccnc32)cn1
InChIInChI=1S/C15H14N2O/c1-10-4-5-12(9-17-10)15(18)13-7-6-11-3-2-8-16-14(11)13/h2-5,8-9,13H,6-7H2,1H3
InChIKeyVRRSSQMDHWWHQC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.70
Rot. Bonds2

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

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone (PubChem CID 105115340) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone
PubChem CID105115340
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2CCc3cccnc32)cn1
InChIInChI=1S/C15H14N2O/c1-10-4-5-12(9-17-10)15(18)13-7-6-11-3-2-8-16-14(11)13/h2-5,8-9,13H,6-7H2,1H3
InChIKeyVRRSSQMDHWWHQC-UHFFFAOYSA-N
XLogP2.70
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79745802
(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783719
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone
CID 115783796
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone
CID 79745567
1,3-dihydro-2-benzofuran-5-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783689
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone
CID 105115479
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783640
(3-chlorothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783692
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone (CID 105115340) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)C2CCc3cccnc32)cn1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone?
The InChIKey is VRRSSQMDHWWHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-4-5-12(9-17-10)15(18)13-7-6-11-3-2-8-16-14(11)13/h2-5,8-9,13H,6-7H2,1H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone has a molecular weight of 238.29 g/mol, XLogP of 2.70, 2 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-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105115340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).