N-(4-amino-2-chloro-3-pyridinyl)acetamide

C7H8ClN3O — CID 45119288

IUPACN-(4-amino-2-chloro-3-pyridinyl)acetamide
SMILESCC(=O)Nc1c(N)ccnc1Cl
InChIInChI=1S/C7H8ClN3O/c1-4(12)11-6-5(9)2-3-10-7(6)8/h2-3H,1H3,(H2,9,10)(H,11,12)
InChIKeySONCREUSDAINKU-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.28
Rot. Bonds1

About N-(4-amino-2-chloro-3-pyridinyl)acetamide

N-(4-amino-2-chloro-3-pyridinyl)acetamide (PubChem CID 45119288) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is N-(4-amino-2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-3-pyridinyl)acetamide
PubChem CID45119288
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC NameN-(4-amino-2-chloro-3-pyridinyl)acetamide
SMILESCC(=O)Nc1c(N)ccnc1Cl
InChIInChI=1S/C7H8ClN3O/c1-4(12)11-6-5(9)2-3-10-7(6)8/h2-3H,1H3,(H2,9,10)(H,11,12)
InChIKeySONCREUSDAINKU-UHFFFAOYSA-N
XLogP1.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-3-pyridinyl)acetamide?
The IUPAC name of N-(4-amino-2-chloro-3-pyridinyl)acetamide (CID 45119288) is N-(4-amino-2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for N-(4-amino-2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for N-(4-amino-2-chloro-3-pyridinyl)acetamide is CC(=O)Nc1c(N)ccnc1Cl.
What is the InChIKey of N-(4-amino-2-chloro-3-pyridinyl)acetamide?
The InChIKey is SONCREUSDAINKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c1-4(12)11-6-5(9)2-3-10-7(6)8/h2-3H,1H3,(H2,9,10)(H,11,12).
What are the key properties of N-(4-amino-2-chloro-3-pyridinyl)acetamide?
N-(4-amino-2-chloro-3-pyridinyl)acetamide has a molecular weight of 185.61 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 45119288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).