N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide

C10H14N4O2 — CID 43315841

IUPACN-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
SMILESNCCNC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C10H14N4O2/c11-4-6-13-9(15)10(16)14-7-8-3-1-2-5-12-8/h1-3,5H,4,6-7,11H2,(H,13,15)(H,14,16)
InChIKeyODIHCMSYPFXEIF-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.23
Rot. Bonds4

About N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide

N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide (PubChem CID 43315841) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
PubChem CID43315841
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
SMILESNCCNC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C10H14N4O2/c11-4-6-13-9(15)10(16)14-7-8-3-1-2-5-12-8/h1-3,5H,4,6-7,11H2,(H,13,15)(H,14,16)
InChIKeyODIHCMSYPFXEIF-UHFFFAOYSA-N
XLogP-1.23
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
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
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518371
N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518379
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide (CID 43315841) is N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide is NCCNC(=O)C(=O)NCc1ccccn1.
What is the InChIKey of N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide?
The InChIKey is ODIHCMSYPFXEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-4-6-13-9(15)10(16)14-7-8-3-1-2-5-12-8/h1-3,5H,4,6-7,11H2,(H,13,15)(H,14,16).
What are the key properties of N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide?
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide has a molecular weight of 222.25 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 43315841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).