N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide

C12H20N2O — CID 71221269

IUPACN-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide
SMILESCCNC(=O)N1CCCC2C(C)=CCC21
InChIInChI=1S/C12H20N2O/c1-3-13-12(15)14-8-4-5-10-9(2)6-7-11(10)14/h6,10-11H,3-5,7-8H2,1-2H3,(H,13,15)
InChIKeyRTXVTQGYRHVYQO-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.15
Rot. Bonds1

About N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide

N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide (PubChem CID 71221269) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide
PubChem CID71221269
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide
SMILESCCNC(=O)N1CCCC2C(C)=CCC21
InChIInChI=1S/C12H20N2O/c1-3-13-12(15)14-8-4-5-10-9(2)6-7-11(10)14/h6,10-11H,3-5,7-8H2,1-2H3,(H,13,15)
InChIKeyRTXVTQGYRHVYQO-UHFFFAOYSA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide?
The IUPAC name of N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide (CID 71221269) is N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide is CCNC(=O)N1CCCC2C(C)=CCC21.
What is the InChIKey of N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide?
The InChIKey is RTXVTQGYRHVYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-13-12(15)14-8-4-5-10-9(2)6-7-11(10)14/h6,10-11H,3-5,7-8H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide?
N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxamide is sourced from PubChem (CID 71221269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).