N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide

C16H24N4O2 — CID 87053490

IUPACN-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCN(C[C@@]12CCC[C@H]1N(C)C(=O)CC2)C(=O)c1ccnn1C
InChIInChI=1S/C16H24N4O2/c1-18(15(22)12-7-10-17-20(12)3)11-16-8-4-5-13(16)19(2)14(21)6-9-16/h7,10,13H,4-6,8-9,11H2,1-3H3/t13-,16+/m1/s1
InChIKeyKFKNEJHJQJNQSW-CJNGLKHVSA-N
MW304.39 g/mol
LogP1.28
Rot. Bonds3

About N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide

N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 87053490) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID87053490
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCN(C[C@@]12CCC[C@H]1N(C)C(=O)CC2)C(=O)c1ccnn1C
InChIInChI=1S/C16H24N4O2/c1-18(15(22)12-7-10-17-20(12)3)11-16-8-4-5-13(16)19(2)14(21)6-9-16/h7,10,13H,4-6,8-9,11H2,1-3H3/t13-,16+/m1/s1
InChIKeyKFKNEJHJQJNQSW-CJNGLKHVSA-N
XLogP1.28
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide (CID 87053490) is N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide is CN(C[C@@]12CCC[C@H]1N(C)C(=O)CC2)C(=O)c1ccnn1C.
What is the InChIKey of N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is KFKNEJHJQJNQSW-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-18(15(22)12-7-10-17-20(12)3)11-16-8-4-5-13(16)19(2)14(21)6-9-16/h7,10,13H,4-6,8-9,11H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide?
N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4aS,7aR)-1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 87053490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).