N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide

C12H16N4O3 — CID 108506762

IUPACN-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C12H16N4O3/c1-9(17)14-5-6-15-11(18)12(19)16-8-10-3-2-4-13-7-10/h2-4,7H,5-6,8H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyOMDJJOHNDYVHAN-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.05
Rot. Bonds5

About N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide

N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 108506762) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
PubChem CID108506762
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C12H16N4O3/c1-9(17)14-5-6-15-11(18)12(19)16-8-10-3-2-4-13-7-10/h2-4,7H,5-6,8H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyOMDJJOHNDYVHAN-UHFFFAOYSA-N
XLogP-1.05
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
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-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
(Z)-3-(2-acetamidoethylamino)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837522
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108502983
N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108506711
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]acetamide
CID 7678953
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108985083
2-(3,4-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 82123368
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide (CID 108506762) is N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide is CC(=O)NCCNC(=O)C(=O)NCc1cccnc1.
What is the InChIKey of N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is OMDJJOHNDYVHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-9(17)14-5-6-15-11(18)12(19)16-8-10-3-2-4-13-7-10/h2-4,7H,5-6,8H2,1H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide?
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 264.28 g/mol, XLogP of -1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 108506762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).