2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide

C16H28N4O — CID 80636665

IUPAC2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C16H28N4O/c1-5-6-9-20(12-14(17)21)15-8-7-13(10-18-15)11-19-16(2,3)4/h7-8,10,19H,5-6,9,11-12H2,1-4H3,(H2,17,21)
InChIKeyHVCMNPUBXYOIFM-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.06
Rot. Bonds8

About 2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide

2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide (PubChem CID 80636665) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide
PubChem CID80636665
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C16H28N4O/c1-5-6-9-20(12-14(17)21)15-8-7-13(10-18-15)11-19-16(2,3)4/h7-8,10,19H,5-6,9,11-12H2,1-4H3,(H2,17,21)
InChIKeyHVCMNPUBXYOIFM-UHFFFAOYSA-N
XLogP2.06
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 103103171
2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol
CID 80630854
2-[[5-[(tert-butylamino)methyl]pyrimidin-2-yl]-ethylamino]acetamide
CID 103103176
2-[[5-(aminomethyl)-2-pyridinyl]-ethylamino]acetamide
CID 103101253
2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
CID 103103191
2-[(2-amino-2-oxoethyl)-[5-[(cyclopropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80635727
2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80821107
5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 55055083
2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide
CID 115486965
2-[(2-aminopyrimidin-4-yl)-butylamino]acetamide
CID 80821112
2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide
CID 62343261
2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630822

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide?
The IUPAC name of 2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide (CID 80636665) is 2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide is CCCCN(CC(N)=O)c1ccc(CNC(C)(C)C)cn1.
What is the InChIKey of 2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide?
The InChIKey is HVCMNPUBXYOIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-6-9-20(12-14(17)21)15-8-7-13(10-18-15)11-19-16(2,3)4/h7-8,10,19H,5-6,9,11-12H2,1-4H3,(H2,17,21).
What are the key properties of 2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide?
2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide has a molecular weight of 292.43 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[5-[(tert-butylamino)methyl]-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 80636665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).