N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide

C11H17N3O — CID 82343819

IUPACN-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(CN)n1
InChIInChI=1S/C11H17N3O/c1-8(2)6-11(15)14-10-5-3-4-9(7-12)13-10/h3-5,8H,6-7,12H2,1-2H3,(H,13,14,15)
InChIKeyWVLFJYFEISQLBP-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.52
Rot. Bonds4

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

N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide (PubChem CID 82343819) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide
PubChem CID82343819
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(CN)n1
InChIInChI=1S/C11H17N3O/c1-8(2)6-11(15)14-10-5-3-4-9(7-12)13-10/h3-5,8H,6-7,12H2,1-2H3,(H,13,14,15)
InChIKeyWVLFJYFEISQLBP-UHFFFAOYSA-N
XLogP1.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide
CID 83618831
1-[6-(aminomethyl)-2-pyridinyl]-3-(2-methylpropyl)urea
CID 165487408
N-[6-(aminomethyl)-2-pyridinyl]-2-(dimethylamino)acetamide
CID 165487357
methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate
CID 130219539
N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide
CID 82343885
4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813228
3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide
CID 116813224
N-[6-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide
CID 82343887
1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea
CID 165487363
N-(6-ethyl-2-pyridinyl)butanamide
CID 66596264
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070

Frequently Asked Questions

What is the IUPAC name of N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide (CID 82343819) is N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cccc(CN)n1.
What is the InChIKey of N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide?
The InChIKey is WVLFJYFEISQLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)6-11(15)14-10-5-3-4-9(7-12)13-10/h3-5,8H,6-7,12H2,1-2H3,(H,13,14,15).
What are the key properties of N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide?
N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide has a molecular weight of 207.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 82343819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).