2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide

C10H16N4O — CID 115486849

IUPAC2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(CN)nc1
InChIInChI=1S/C10H16N4O/c1-12-10(15)7-14(2)9-4-3-8(5-11)13-6-9/h3-4,6H,5,7,11H2,1-2H3,(H,12,15)
InChIKeyLFAANNAAKKXKNW-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.28
Rot. Bonds4

About 2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide

2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide (PubChem CID 115486849) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide
PubChem CID115486849
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(CN)nc1
InChIInChI=1S/C10H16N4O/c1-12-10(15)7-14(2)9-4-3-8(5-11)13-6-9/h3-4,6H,5,7,11H2,1-2H3,(H,12,15)
InChIKeyLFAANNAAKKXKNW-UHFFFAOYSA-N
XLogP-0.28
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638770
2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide
CID 114613147
2-(4-tert-butyl-N-methylanilino)-N-methylacetamide
CID 60562398
2-[(6-amino-3-pyridinyl)-methylamino]acetamide
CID 43374025
2-[(6-carbamothioyl-3-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 113320870
2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
CID 43506218
N-methyl-2-[methyl-[5-(methylamino)-3-pyridinyl]amino]acetamide
CID 104532888
1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one
CID 123848862
2-[(5-formyl-2-pyridinyl)-methylamino]-N-methylacetamide
CID 80637307
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
N-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide
CID 83132737
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide
CID 102813438

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide (CID 115486849) is 2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1ccc(CN)nc1.
What is the InChIKey of 2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide?
The InChIKey is LFAANNAAKKXKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-12-10(15)7-14(2)9-4-3-8(5-11)13-6-9/h3-4,6H,5,7,11H2,1-2H3,(H,12,15).
What are the key properties of 2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide?
2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide has a molecular weight of 208.26 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 115486849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).