2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide

C17H26N4O2 — CID 11937405

IUPAC2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C17H26N4O2/c1-10-17(11(2)21(3)20-10)19-16(23)9-18-15(22)8-14-7-12-4-5-13(14)6-12/h12-14H,4-9H2,1-3H3,(H,18,22)(H,19,23)/t12-,13+,14-/m0/s1
InChIKeyFWQUAPUMNVKQFR-MJBXVCDLSA-N
MW318.42 g/mol
LogP1.92
Rot. Bonds5

About 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide (PubChem CID 11937405) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide
PubChem CID11937405
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C17H26N4O2/c1-10-17(11(2)21(3)20-10)19-16(23)9-18-15(22)8-14-7-12-4-5-13(14)6-12/h12-14H,4-9H2,1-3H3,(H,18,22)(H,19,23)/t12-,13+,14-/m0/s1
InChIKeyFWQUAPUMNVKQFR-MJBXVCDLSA-N
XLogP1.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide?
The IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide (CID 11937405) is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide is Cc1nn(C)c(C)c1NC(=O)CNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide?
The InChIKey is FWQUAPUMNVKQFR-MJBXVCDLSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-10-17(11(2)21(3)20-10)19-16(23)9-18-15(22)8-14-7-12-4-5-13(14)6-12/h12-14H,4-9H2,1-3H3,(H,18,22)(H,19,23)/t12-,13+,14-/m0/s1.
What are the key properties of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide?
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 11937405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).