2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide

C9H10N4O2 — CID 130322309

IUPAC2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide
SMILES[H]/N=C(\C(N)=O)c1cnccc1NCC=O
InChIInChI=1S/C9H10N4O2/c10-8(9(11)15)6-5-12-2-1-7(6)13-3-4-14/h1-2,4-5,10H,3H2,(H2,11,15)(H,12,13)/b10-8-
InChIKeyNDXMOXPVZGYUTQ-NTMALXAHSA-N
MW206.21 g/mol
LogP-0.45
Rot. Bonds5

About 2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide

2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide (PubChem CID 130322309) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide
PubChem CID130322309
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide
SMILES[H]/N=C(\C(N)=O)c1cnccc1NCC=O
InChIInChI=1S/C9H10N4O2/c10-8(9(11)15)6-5-12-2-1-7(6)13-3-4-14/h1-2,4-5,10H,3H2,(H2,11,15)(H,12,13)/b10-8-
InChIKeyNDXMOXPVZGYUTQ-NTMALXAHSA-N
XLogP-0.45
TPSA108.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide?
The IUPAC name of 2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide (CID 130322309) is 2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide is [H]/N=C(\C(N)=O)c1cnccc1NCC=O.
What is the InChIKey of 2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide?
The InChIKey is NDXMOXPVZGYUTQ-NTMALXAHSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-8(9(11)15)6-5-12-2-1-7(6)13-3-4-14/h1-2,4-5,10H,3H2,(H2,11,15)(H,12,13)/b10-8-.
What are the key properties of 2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide?
2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide has a molecular weight of 206.21 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-[4-(2-oxoethylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 130322309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).