2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide

C11H18N4O2 — CID 113405011

IUPAC2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1nccc(C)c1N
InChIInChI=1S/C11H18N4O2/c1-8-3-4-14-11(10(8)12)15-7-9(16)13-5-6-17-2/h3-4H,5-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyNDKQLGLUWSBVHV-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.15
Rot. Bonds6

About 2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide

2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 113405011) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID113405011
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1nccc(C)c1N
InChIInChI=1S/C11H18N4O2/c1-8-3-4-14-11(10(8)12)15-7-9(16)13-5-6-17-2/h3-4H,5-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyNDKQLGLUWSBVHV-UHFFFAOYSA-N
XLogP0.15
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115575489
2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide
CID 106539384
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113405791
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115696998
N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331288
N-(2-methoxyethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetamide
CID 104732076
N-(2-methoxyethyl)-2-(pyrazin-2-ylamino)acetamide
CID 115574127
3-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041350
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide
CID 113231442
2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide
CID 114254580
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9453782

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide (CID 113405011) is 2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1nccc(C)c1N.
What is the InChIKey of 2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is NDKQLGLUWSBVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-3-4-14-11(10(8)12)15-7-9(16)13-5-6-17-2/h3-4H,5-7,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide?
2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113405011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).