N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide

C15H24N4O2 — CID 108506711

IUPACN-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide
SMILESCCN(CC)CCCNC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C15H24N4O2/c1-3-19(4-2)10-6-9-17-14(20)15(21)18-12-13-7-5-8-16-11-13/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyNDEOFOJLGPYJAB-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.55
Rot. Bonds8

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

N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 108506711) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide
PubChem CID108506711
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide
SMILESCCN(CC)CCCNC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C15H24N4O2/c1-3-19(4-2)10-6-9-17-14(20)15(21)18-12-13-7-5-8-16-11-13/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyNDEOFOJLGPYJAB-UHFFFAOYSA-N
XLogP0.55
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.55
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-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide
CID 47333747
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108502983
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524698
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide (CID 108506711) is N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide is CCN(CC)CCCNC(=O)C(=O)NCc1cccnc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is NDEOFOJLGPYJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-19(4-2)10-6-9-17-14(20)15(21)18-12-13-7-5-8-16-11-13/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide?
N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 292.38 g/mol, XLogP of 0.55, 8 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-ylmethyl)oxamide is sourced from PubChem (CID 108506711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).