3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide

C11H18N4O — CID 106914441

IUPAC3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccc(CN)cn1
InChIInChI=1S/C11H18N4O/c1-13-11(16)5-6-15(2)10-4-3-9(7-12)8-14-10/h3-4,8H,5-7,12H2,1-2H3,(H,13,16)
InChIKeyVCSIEBNYLMIDIY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.11
Rot. Bonds5

About 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide

3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide (PubChem CID 106914441) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide
PubChem CID106914441
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccc(CN)cn1
InChIInChI=1S/C11H18N4O/c1-13-11(16)5-6-15(2)10-4-3-9(7-12)8-14-10/h3-4,8H,5-7,12H2,1-2H3,(H,13,16)
InChIKeyVCSIEBNYLMIDIY-UHFFFAOYSA-N
XLogP0.11
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
3-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]-N-methylpropanamide
CID 106914423
3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide
CID 106916351
3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 106914145
3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide
CID 106914433
3-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914232
N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630091
3-[(6-hydrazinyl-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106918756
N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80630475
2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630822
3-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-methylamino]-N-methylpropanamide
CID 106914872
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 106916049

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide (CID 106914441) is 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1ccc(CN)cn1.
What is the InChIKey of 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide?
The InChIKey is VCSIEBNYLMIDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-13-11(16)5-6-15(2)10-4-3-9(7-12)8-14-10/h3-4,8H,5-7,12H2,1-2H3,(H,13,16).
What are the key properties of 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide?
3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).