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

C12H20N4O2 — CID 62465174

IUPAC2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)Cc1ccnc(N)c1
InChIInChI=1S/C12H20N4O2/c1-16(9-12(17)15-5-6-18-2)8-10-3-4-14-11(13)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H2,13,14)(H,15,17)
InChIKeyIIBJUVUHPSMETI-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.14
Rot. Bonds7

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

2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 62465174) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID62465174
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)Cc1ccnc(N)c1
InChIInChI=1S/C12H20N4O2/c1-16(9-12(17)15-5-6-18-2)8-10-3-4-14-11(13)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H2,13,14)(H,15,17)
InChIKeyIIBJUVUHPSMETI-UHFFFAOYSA-N
XLogP-0.14
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-carbamothioyl-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 63882099
2-[(6-amino-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62209093
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 51254044
2-[(4-chloro-2-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 79255516
2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide
CID 62464125
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 47145617
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
2-[(3-carbamothioyl-4-fluorophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 107879290
2-[(4-amino-2-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 54989202
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
CID 62465226
N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 71063959
2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 63583278

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 62465174) is 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)Cc1ccnc(N)c1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is IIBJUVUHPSMETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16(9-12(17)15-5-6-18-2)8-10-3-4-14-11(13)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H2,13,14)(H,15,17).
What are the key properties of 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 252.32 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 62465174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).