N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide

C17H23N3O3 — CID 129377894

IUPACN-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide
SMILESCCn1cc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)ccc1=O
InChIInChI=1S/C17H23N3O3/c1-2-20-10-14(5-6-15(20)21)19-17(23)16(22)18-9-13-8-11-3-4-12(13)7-11/h5-6,10-13H,2-4,7-9H2,1H3,(H,18,22)(H,19,23)/t11-,12-,13+/m0/s1
InChIKeyRLXILOPLIQYBEX-RWMBFGLXSA-N
MW317.39 g/mol
LogP1.36
Rot. Bonds4

About N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide

N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide (PubChem CID 129377894) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide
PubChem CID129377894
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide
SMILESCCn1cc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)ccc1=O
InChIInChI=1S/C17H23N3O3/c1-2-20-10-14(5-6-15(20)21)19-17(23)16(22)18-9-13-8-11-3-4-12(13)7-11/h5-6,10-13H,2-4,7-9H2,1H3,(H,18,22)(H,19,23)/t11-,12-,13+/m0/s1
InChIKeyRLXILOPLIQYBEX-RWMBFGLXSA-N
XLogP1.36
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide?
The IUPAC name of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide (CID 129377894) is N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide.
What is the SMILES notation for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide?
The canonical SMILES for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide is CCn1cc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)ccc1=O.
What is the InChIKey of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide?
The InChIKey is RLXILOPLIQYBEX-RWMBFGLXSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-2-20-10-14(5-6-15(20)21)19-17(23)16(22)18-9-13-8-11-3-4-12(13)7-11/h5-6,10-13H,2-4,7-9H2,1H3,(H,18,22)(H,19,23)/t11-,12-,13+/m0/s1.
What are the key properties of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide?
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide has a molecular weight of 317.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-(1-ethyl-6-oxo-3-pyridinyl)oxamide is sourced from PubChem (CID 129377894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).