N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide

C16H25N3O2 — CID 108521696

IUPACN'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCCCCNC(=O)C(=O)N(CC)CCc1ccncc1
InChIInChI=1S/C16H25N3O2/c1-3-5-6-10-18-15(20)16(21)19(4-2)13-9-14-7-11-17-12-8-14/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,18,20)
InChIKeyCNPFQKMBMWTJES-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.78
Rot. Bonds8

About N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide

N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108521696) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108521696
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCCCCNC(=O)C(=O)N(CC)CCc1ccncc1
InChIInChI=1S/C16H25N3O2/c1-3-5-6-10-18-15(20)16(21)19(4-2)13-9-14-7-11-17-12-8-14/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,18,20)
InChIKeyCNPFQKMBMWTJES-UHFFFAOYSA-N
XLogP1.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108512603
N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108522052
N'-ethyl-N'-(2-pyridin-4-ylethyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512257
N-[4-(dimethylamino)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527350
N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108508568
N-(2-chlorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108500313
N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108515686
N-[3,5-bis(trifluoromethyl)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527377
6-N-methyl-2-N-pentyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098678
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527424

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide (CID 108521696) is N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide is CCCCCNC(=O)C(=O)N(CC)CCc1ccncc1.
What is the InChIKey of N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is CNPFQKMBMWTJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-5-6-10-18-15(20)16(21)19(4-2)13-9-14-7-11-17-12-8-14/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,18,20).
What are the key properties of N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide?
N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 291.39 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-pentyl-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108521696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).