N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide

C16H19N5O2 — CID 71676617

IUPACN'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
SMILESO=C(NCCNCc1ccccn1)C(=O)NCc1ccccn1
InChIInChI=1S/C16H19N5O2/c22-15(16(23)21-12-14-6-2-4-8-19-14)20-10-9-17-11-13-5-1-3-7-18-13/h1-8,17H,9-12H2,(H,20,22)(H,21,23)
InChIKeyLVVAWUVPLLNDMQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP-0.00
Rot. Bonds7

About N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide

N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide (PubChem CID 71676617) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
PubChem CID71676617
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
SMILESO=C(NCCNCc1ccccn1)C(=O)NCc1ccccn1
InChIInChI=1S/C16H19N5O2/c22-15(16(23)21-12-14-6-2-4-8-19-14)20-10-9-17-11-13-5-1-3-7-18-13/h1-8,17H,9-12H2,(H,20,22)(H,21,23)
InChIKeyLVVAWUVPLLNDMQ-UHFFFAOYSA-N
XLogP-0.00
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 3676320
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518344

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide?
The IUPAC name of N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide (CID 71676617) is N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide.
What is the SMILES notation for N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide?
The canonical SMILES for N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide is O=C(NCCNCc1ccccn1)C(=O)NCc1ccccn1.
What is the InChIKey of N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide?
The InChIKey is LVVAWUVPLLNDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-15(16(23)21-12-14-6-2-4-8-19-14)20-10-9-17-11-13-5-1-3-7-18-13/h1-8,17H,9-12H2,(H,20,22)(H,21,23).
What are the key properties of N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide?
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide has a molecular weight of 313.36 g/mol, XLogP of -0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide is sourced from PubChem (CID 71676617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).