N'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide

C17H25N3O3 — CID 71875013

IUPACN'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide
SMILESCCn1cc(NC(=O)C(=O)NCC2CCCCC2C)ccc1=O
InChIInChI=1S/C17H25N3O3/c1-3-20-11-14(8-9-15(20)21)19-17(23)16(22)18-10-13-7-5-4-6-12(13)2/h8-9,11-13H,3-7,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyXGVHAXHVMQHVAS-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.75
Rot. Bonds4

About N'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide

N'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide (PubChem CID 71875013) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide
PubChem CID71875013
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide
SMILESCCn1cc(NC(=O)C(=O)NCC2CCCCC2C)ccc1=O
InChIInChI=1S/C17H25N3O3/c1-3-20-11-14(8-9-15(20)21)19-17(23)16(22)18-10-13-7-5-4-6-12(13)2/h8-9,11-13H,3-7,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyXGVHAXHVMQHVAS-UHFFFAOYSA-N
XLogP1.75
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.75
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'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide?
The IUPAC name of N'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide (CID 71875013) is N'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide.
What is the SMILES notation for N'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide?
The canonical SMILES for N'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide is CCn1cc(NC(=O)C(=O)NCC2CCCCC2C)ccc1=O.
What is the InChIKey of N'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide?
The InChIKey is XGVHAXHVMQHVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-20-11-14(8-9-15(20)21)19-17(23)16(22)18-10-13-7-5-4-6-12(13)2/h8-9,11-13H,3-7,10H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide?
N'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide has a molecular weight of 319.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethyl-6-oxo-3-pyridinyl)-N-[(2-methylcyclohexyl)methyl]oxamide is sourced from PubChem (CID 71875013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).