7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+)

C22H19N2O2Rb — CID 59797518

IUPAC7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+)
SMILESO=C(C1CCc2ccc([O-])nc21)N(Cc1ccccc1)c1ccccc1.[Rb+]
InChIInChI=1S/C22H20N2O2.Rb/c25-20-14-12-17-11-13-19(21(17)23-20)22(26)24(18-9-5-2-6-10-18)15-16-7-3-1-4-8-16;/h1-10,12,14,19H,11,13,15H2,(H,23,25);/q;+1/p-1
InChIKeyMGORLSLLOSTJFG-UHFFFAOYSA-M
MW428.87 g/mol
LogP0.42
Rot. Bonds4

About 7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+)

7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+) (PubChem CID 59797518) has the molecular formula C22H19N2O2Rb and a molecular weight of 428.87 g/mol. Its IUPAC name is 7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+).

Molecular Properties

Compound Name7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+)
PubChem CID59797518
Molecular FormulaC22H19N2O2Rb
Molecular Weight428.87 g/mol
Exact Mass428.06
IUPAC Name7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+)
SMILESO=C(C1CCc2ccc([O-])nc21)N(Cc1ccccc1)c1ccccc1.[Rb+]
InChIInChI=1S/C22H20N2O2.Rb/c25-20-14-12-17-11-13-19(21(17)23-20)22(26)24(18-9-5-2-6-10-18)15-16-7-3-1-4-8-16;/h1-10,12,14,19H,11,13,15H2,(H,23,25);/q;+1/p-1
InChIKeyMGORLSLLOSTJFG-UHFFFAOYSA-M
XLogP0.42
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-N-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 11690814
(1R,6S)-6-[benzyl(phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6969329
N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 75853875
2-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 11590963
N-benzyl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 108991209
N-benzyl-3-(cyclopentylamino)-N-phenylpropanamide
CID 109013738
N-benzyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42904694
ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124483
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3173507
N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754688
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977

Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+)?
The IUPAC name of 7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+) (CID 59797518) is 7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+).
What is the SMILES notation for 7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+)?
The canonical SMILES for 7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+) is O=C(C1CCc2ccc([O-])nc21)N(Cc1ccccc1)c1ccccc1.[Rb+].
What is the InChIKey of 7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+)?
The InChIKey is MGORLSLLOSTJFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20N2O2.Rb/c25-20-14-12-17-11-13-19(21(17)23-20)22(26)24(18-9-5-2-6-10-18)15-16-7-3-1-4-8-16;/h1-10,12,14,19H,11,13,15H2,(H,23,25);/q;+1/p-1.
What are the key properties of 7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+)?
7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+) has a molecular weight of 428.87 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(phenyl)carbamoyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-olate;rubidium(1+) is sourced from PubChem (CID 59797518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).