1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide

C16H21N3O2 — CID 110196564

IUPAC1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)c3cccn3C)CCC=C12
InChIInChI=1S/C16H21N3O2/c1-18-10-4-5-12(18)15(21)17-11-16-8-3-6-13(16)19(2)14(20)7-9-16/h4-6,10H,3,7-9,11H2,1-2H3,(H,17,21)
InChIKeyZFVKQMDWVLQNIM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.67
Rot. Bonds3

About 1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide

1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide (PubChem CID 110196564) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide
PubChem CID110196564
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide
SMILESCN1C(=O)CCC2(CNC(=O)c3cccn3C)CCC=C12
InChIInChI=1S/C16H21N3O2/c1-18-10-4-5-12(18)15(21)17-11-16-8-3-6-13(16)19(2)14(20)7-9-16/h4-6,10H,3,7-9,11H2,1-2H3,(H,17,21)
InChIKeyZFVKQMDWVLQNIM-UHFFFAOYSA-N
XLogP1.67
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide (CID 110196564) is 1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide is CN1C(=O)CCC2(CNC(=O)c3cccn3C)CCC=C12.
What is the InChIKey of 1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is ZFVKQMDWVLQNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-10-4-5-12(18)15(21)17-11-16-8-3-6-13(16)19(2)14(20)7-9-16/h4-6,10H,3,7-9,11H2,1-2H3,(H,17,21).
What are the key properties of 1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide?
1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 110196564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).