2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide

C12H20N4O — CID 79173345

IUPAC2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(C)c(N)cn1
InChIInChI=1S/C12H20N4O/c1-4-5-14-12(17)8-16(3)11-6-9(2)10(13)7-15-11/h6-7H,4-5,8,13H2,1-3H3,(H,14,17)
InChIKeyPYWFNVGXBSJEOC-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.93
Rot. Bonds5

About 2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide

2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide (PubChem CID 79173345) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
PubChem CID79173345
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(C)c(N)cn1
InChIInChI=1S/C12H20N4O/c1-4-5-14-12(17)8-16(3)11-6-9(2)10(13)7-15-11/h6-7H,4-5,8,13H2,1-3H3,(H,14,17)
InChIKeyPYWFNVGXBSJEOC-UHFFFAOYSA-N
XLogP0.93
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 115773945
5-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylic acid
CID 114919353
2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 60725995
2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide
CID 103590092
2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide
CID 79177065
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 81132684
2-[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 114053145
2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 55139193
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808691
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 115773860
6-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-propylpyridine-3-carboxamide
CID 133359145

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide (CID 79173345) is 2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1cc(C)c(N)cn1.
What is the InChIKey of 2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide?
The InChIKey is PYWFNVGXBSJEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-5-14-12(17)8-16(3)11-6-9(2)10(13)7-15-11/h6-7H,4-5,8,13H2,1-3H3,(H,14,17).
What are the key properties of 2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide?
2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 79173345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).