N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide

C14H22N4O2 — CID 47333747

IUPACN-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide
SMILESCCN(CC)CCCNC(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C14H22N4O2/c1-3-18(4-2)10-6-9-16-13(19)14(20)17-12-7-5-8-15-11-12/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyVWFCIZWNANAGLI-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.87
Rot. Bonds7

About N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide

N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide (PubChem CID 47333747) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide
PubChem CID47333747
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide
SMILESCCN(CC)CCCNC(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C14H22N4O2/c1-3-18(4-2)10-6-9-16-13(19)14(20)17-12-7-5-8-15-11-12/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyVWFCIZWNANAGLI-UHFFFAOYSA-N
XLogP0.87
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108506711
N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide
CID 142899815
N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide
CID 108514450
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
CID 108526028
N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide
CID 108526026
1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea
CID 60591438
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554
N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide
CID 108522203
3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 61187084
N-butyl-N'-phenyloxamide
CID 2290889
N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
CID 108511778

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide (CID 47333747) is N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide is CCN(CC)CCCNC(=O)C(=O)Nc1cccnc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide?
The InChIKey is VWFCIZWNANAGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18(4-2)10-6-9-16-13(19)14(20)17-12-7-5-8-15-11-12/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide?
N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide has a molecular weight of 278.36 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide is sourced from PubChem (CID 47333747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).