2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide

C12H20N4O — CID 79242742

IUPAC2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cccc(N)n1
InChIInChI=1S/C12H20N4O/c1-3-7-14-12(17)9-16(2)8-10-5-4-6-11(13)15-10/h4-6H,3,7-9H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyXIGMHQFTNDLDLE-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.62
Rot. Bonds6

About 2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide

2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide (PubChem CID 79242742) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide
PubChem CID79242742
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cccc(N)n1
InChIInChI=1S/C12H20N4O/c1-3-7-14-12(17)9-16(2)8-10-5-4-6-11(13)15-10/h4-6H,3,7-9H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyXIGMHQFTNDLDLE-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-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide
CID 79994991
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide
CID 104513610
methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate
CID 104824482
2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 63585474
2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide
CID 103060576
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide
CID 62470888
2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide
CID 18083023
2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
CID 102985844
4-fluoro-3-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoic acid
CID 107452224

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide (CID 79242742) is 2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1cccc(N)n1.
What is the InChIKey of 2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide?
The InChIKey is XIGMHQFTNDLDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-7-14-12(17)9-16(2)8-10-5-4-6-11(13)15-10/h4-6H,3,7-9H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide?
2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide 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-2-pyridinyl)methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 79242742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).