2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide

C12H20N4O — CID 55046759

IUPAC2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1ccc(N)nc1
InChIInChI=1S/C12H20N4O/c1-3-6-16(9-12(17)14-2)8-10-4-5-11(13)15-7-10/h4-5,7H,3,6,8-9H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyVTELLPXUWCIAQJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.62
Rot. Bonds6

About 2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide

2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide (PubChem CID 55046759) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide
PubChem CID55046759
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1ccc(N)nc1
InChIInChI=1S/C12H20N4O/c1-3-6-16(9-12(17)14-2)8-10-4-5-11(13)15-7-10/h4-5,7H,3,6,8-9H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyVTELLPXUWCIAQJ-UHFFFAOYSA-N
XLogP0.62
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide
CID 62890998
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80657671
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide
CID 82986749
2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
CID 43384149
2-[(4-aminophenyl)methyl-propylamino]-N-carbamoylacetamide
CID 43459558
N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide
CID 62465375
2-[(3-carbamothioylphenyl)methyl-propylamino]-N-methylacetamide
CID 54984391
3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 104870323
2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide
CID 65343735
2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide
CID 43574920
2-[(3-amino-4-bromophenyl)methyl-ethylamino]-N-methylacetamide
CID 113335069

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide (CID 55046759) is 2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)Cc1ccc(N)nc1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide?
The InChIKey is VTELLPXUWCIAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-6-16(9-12(17)14-2)8-10-4-5-11(13)15-7-10/h4-5,7H,3,6,8-9H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide?
2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 55046759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).