2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane

C10H16ClN3O — CID 153404933

IUPAC2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane
SMILESCC.Cc1cnc(Cl)cc1NCC(N)=O
InChIInChI=1S/C8H10ClN3O.C2H6/c1-5-3-12-7(9)2-6(5)11-4-8(10)13;1-2/h2-3H,4H2,1H3,(H2,10,13)(H,11,12);1-2H3
InChIKeyCSIPUFDLLDPOPZ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.97
Rot. Bonds3

About 2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane

2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane (PubChem CID 153404933) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane.

Molecular Properties

Compound Name2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane
PubChem CID153404933
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane
SMILESCC.Cc1cnc(Cl)cc1NCC(N)=O
InChIInChI=1S/C8H10ClN3O.C2H6/c1-5-3-12-7(9)2-6(5)11-4-8(10)13;1-2/h2-3H,4H2,1H3,(H2,10,13)(H,11,12);1-2H3
InChIKeyCSIPUFDLLDPOPZ-UHFFFAOYSA-N
XLogP1.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.97
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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Related Compounds

2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide
CID 166349911
2-(2-acetyl-4-chloro-5-methylanilino)acetamide
CID 141175373
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595
2-(4,5-dimethyl-2-propanoylanilino)acetamide
CID 141175372
2-[(2-amino-5-methylpyrimidin-4-yl)amino]acetamide
CID 80770293
2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83267356
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
2-chloro-4,5-dimethylpyridine;ethane
CID 144586230
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774
1-(2-chloro-5-methyl-4-pyridinyl)propan-1-one
CID 170702285
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
2-chloro-5-methyl-N-(oxetan-3-yl)pyridin-4-amine;ethane
CID 153404830

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane?
The IUPAC name of 2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane (CID 153404933) is 2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane.
What is the SMILES notation for 2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane?
The canonical SMILES for 2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane is CC.Cc1cnc(Cl)cc1NCC(N)=O.
What is the InChIKey of 2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane?
The InChIKey is CSIPUFDLLDPOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O.C2H6/c1-5-3-12-7(9)2-6(5)11-4-8(10)13;1-2/h2-3H,4H2,1H3,(H2,10,13)(H,11,12);1-2H3.
What are the key properties of 2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane?
2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane has a molecular weight of 229.71 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-methyl-4-pyridinyl)amino]acetamide;ethane is sourced from PubChem (CID 153404933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).