N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C14H20N2O — CID 168938283

IUPACN-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCc1nc2c(cc1C(=O)NC(C)(C)C)CCC2
InChIInChI=1S/C14H20N2O/c1-9-11(13(17)16-14(2,3)4)8-10-6-5-7-12(10)15-9/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyFFVJKLQBMIRHHH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.41
Rot. Bonds1

About N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 168938283) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID168938283
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCc1nc2c(cc1C(=O)NC(C)(C)C)CCC2
InChIInChI=1S/C14H20N2O/c1-9-11(13(17)16-14(2,3)4)8-10-6-5-7-12(10)15-9/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyFFVJKLQBMIRHHH-UHFFFAOYSA-N
XLogP2.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 168938283) is N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is Cc1nc2c(cc1C(=O)NC(C)(C)C)CCC2.
What is the InChIKey of N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is FFVJKLQBMIRHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-11(13(17)16-14(2,3)4)8-10-6-5-7-12(10)15-9/h8H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 168938283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).