N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide

C15H22N4O2 — CID 162631292

IUPACN-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)N(C)[C@H]2C[C@H]3CC(=O)NC[C@H]3C2)c1
InChIInChI=1S/C15H22N4O2/c1-10-6-17-19(8-10)9-15(21)18(2)13-3-11-5-14(20)16-7-12(11)4-13/h6,8,11-13H,3-5,7,9H2,1-2H3,(H,16,20)/t11-,12+,13-/m0/s1
InChIKeyODPMIAJRAAUCNF-XQQFMLRXSA-N
MW290.37 g/mol
LogP0.56
Rot. Bonds3

About N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide

N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 162631292) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID162631292
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)N(C)[C@H]2C[C@H]3CC(=O)NC[C@H]3C2)c1
InChIInChI=1S/C15H22N4O2/c1-10-6-17-19(8-10)9-15(21)18(2)13-3-11-5-14(20)16-7-12(11)4-13/h6,8,11-13H,3-5,7,9H2,1-2H3,(H,16,20)/t11-,12+,13-/m0/s1
InChIKeyODPMIAJRAAUCNF-XQQFMLRXSA-N
XLogP0.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide (CID 162631292) is N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)N(C)[C@H]2C[C@H]3CC(=O)NC[C@H]3C2)c1.
What is the InChIKey of N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is ODPMIAJRAAUCNF-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-6-17-19(8-10)9-15(21)18(2)13-3-11-5-14(20)16-7-12(11)4-13/h6,8,11-13H,3-5,7,9H2,1-2H3,(H,16,20)/t11-,12+,13-/m0/s1.
What are the key properties of N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide?
N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 162631292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).