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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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 4786642
N-(2,3-Dimethylcyclohexyl)-2-(5-nitro-2-oxopyridin-1-YL)acetamide
CID 16306002
2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide
CID 45268244
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
6-oxo-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]-1H-pyridine-2-carboxamide
CID 125527487
N-[(2-ethyl-3,3-dimethylcyclohexyl)methyl]-1-[(E)-3-(4-fluoropiperidin-1-yl)-2-methyl-3-oxoprop-1-enyl]-6-methylidenepyridine-2-carboxamide
CID 143685875
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 36181128
2-(5-fluoro-2-oxo-1-pyridinyl)-N-(4-methylcyclohexyl)acetamide
CID 99831539
1-[2-Cyclohexyl-2-(methylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 104748063
1-methyl-6-oxo-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]pyridine-2-carboxamide
CID 137993419
(Z)-2-amino-3-(5-fluoro-2H-pyridin-1-yl)-N-(4-propylcyclohexyl)prop-2-enamide
CID 143720065
3-Amino-1-(cyclohexylmethyl)-1,2-dihydropyridin-2-one
CID 62101138

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).