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

C12H18N4O — CID 62464125

IUPAC2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1ccnc(N)c1
InChIInChI=1S/C12H18N4O/c1-16(8-12(17)15-10-2-3-10)7-9-4-5-14-11(13)6-9/h4-6,10H,2-3,7-8H2,1H3,(H2,13,14)(H,15,17)
InChIKeyVWEJDYXRBJFHEY-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.37
Rot. Bonds5

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

2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide (PubChem CID 62464125) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide
PubChem CID62464125
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1ccnc(N)c1
InChIInChI=1S/C12H18N4O/c1-16(8-12(17)15-10-2-3-10)7-9-4-5-14-11(13)6-9/h4-6,10H,2-3,7-8H2,1H3,(H2,13,14)(H,15,17)
InChIKeyVWEJDYXRBJFHEY-UHFFFAOYSA-N
XLogP0.37
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62465174
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 43248801
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
2-[(2-amino-4-pyridinyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 62470329
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
2-[(3-bromo-4-fluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 54980387
N-cyclopropyl-2-[methyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]amino]acetamide
CID 75461461
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502
N-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196200
N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 27099197
2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
CID 114194996

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide (CID 62464125) is 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)Cc1ccnc(N)c1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is VWEJDYXRBJFHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16(8-12(17)15-10-2-3-10)7-9-4-5-14-11(13)6-9/h4-6,10H,2-3,7-8H2,1H3,(H2,13,14)(H,15,17).
What are the key properties of 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide?
2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 234.30 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 62464125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).