N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide

C20H20N2O — CID 162195781

IUPACN-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide
SMILESCc1nc(C(=O)NCc2ccc3c(c2)C=CC3)cc2c1CCC2
InChIInChI=1S/C20H20N2O/c1-13-18-7-3-6-17(18)11-19(22-13)20(23)21-12-14-8-9-15-4-2-5-16(15)10-14/h2,5,8-11H,3-4,6-7,12H2,1H3,(H,21,23)
InChIKeyYOKQCAZERCDLSD-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.38
Rot. Bonds3

About N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide

N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide (PubChem CID 162195781) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide
PubChem CID162195781
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide
SMILESCc1nc(C(=O)NCc2ccc3c(c2)C=CC3)cc2c1CCC2
InChIInChI=1S/C20H20N2O/c1-13-18-7-3-6-17(18)11-19(22-13)20(23)21-12-14-8-9-15-4-2-5-16(15)10-14/h2,5,8-11H,3-4,6-7,12H2,1H3,(H,21,23)
InChIKeyYOKQCAZERCDLSD-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide?
The IUPAC name of N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide (CID 162195781) is N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide?
The canonical SMILES for N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide is Cc1nc(C(=O)NCc2ccc3c(c2)C=CC3)cc2c1CCC2.
What is the InChIKey of N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide?
The InChIKey is YOKQCAZERCDLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-13-18-7-3-6-17(18)11-19(22-13)20(23)21-12-14-8-9-15-4-2-5-16(15)10-14/h2,5,8-11H,3-4,6-7,12H2,1H3,(H,21,23).
What are the key properties of N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide?
N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-inden-5-ylmethyl)-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide is sourced from PubChem (CID 162195781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).