2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide

C12H20N4O — CID 115486965

IUPAC2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1ccc(CN)nc1
InChIInChI=1S/C12H20N4O/c1-2-3-6-16(9-12(14)17)11-5-4-10(7-13)15-8-11/h4-5,8H,2-3,6-7,9,13H2,1H3,(H2,14,17)
InChIKeyKTRLJPGDMVNPLH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.63
Rot. Bonds7

About 2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide

2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide (PubChem CID 115486965) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide
PubChem CID115486965
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1ccc(CN)nc1
InChIInChI=1S/C12H20N4O/c1-2-3-6-16(9-12(14)17)11-5-4-10(7-13)15-8-11/h4-5,8H,2-3,6-7,9,13H2,1H3,(H2,14,17)
InChIKeyKTRLJPGDMVNPLH-UHFFFAOYSA-N
XLogP0.63
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
2-(4-fluoro-N-pentylanilino)acetamide
CID 57125952
2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide
CID 80508966
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582
2-[2-(aminomethyl)-3-bromo-N-butylanilino]acetamide
CID 114879596
2-[(6-amino-3-pyridinyl)-butylamino]ethanol
CID 61444320
2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide
CID 102768070
2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80636665
2-(N-butyl-4-carbamothioyl-3-chloroanilino)acetamide
CID 62947297
2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide
CID 62343261
2-[(2-aminopyrimidin-4-yl)-butylamino]acetamide
CID 80821112
2-[4-(aminomethyl)-N-ethylanilino]acetamide
CID 43275827

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide?
The IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide (CID 115486965) is 2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide.
What is the SMILES notation for 2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide?
The canonical SMILES for 2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide is CCCCN(CC(N)=O)c1ccc(CN)nc1.
What is the InChIKey of 2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide?
The InChIKey is KTRLJPGDMVNPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-3-6-16(9-12(14)17)11-5-4-10(7-13)15-8-11/h4-5,8H,2-3,6-7,9,13H2,1H3,(H2,14,17).
What are the key properties of 2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide?
2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide has a molecular weight of 236.32 g/mol, XLogP of 0.63, 7 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]-butylamino]acetamide is sourced from PubChem (CID 115486965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).