2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide

C13H21N3O — CID 143667870

IUPAC2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide
SMILESCCC(C)Cc1ncccc1NC(=O)C(C)N
InChIInChI=1S/C13H21N3O/c1-4-9(2)8-12-11(6-5-7-15-12)16-13(17)10(3)14/h5-7,9-10H,4,8,14H2,1-3H3,(H,16,17)
InChIKeyGWUKRVGQLNXQLN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds5

About 2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide

2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide (PubChem CID 143667870) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide
PubChem CID143667870
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide
SMILESCCC(C)Cc1ncccc1NC(=O)C(C)N
InChIInChI=1S/C13H21N3O/c1-4-9(2)8-12-11(6-5-7-15-12)16-13(17)10(3)14/h5-7,9-10H,4,8,14H2,1-3H3,(H,16,17)
InChIKeyGWUKRVGQLNXQLN-UHFFFAOYSA-N
XLogP1.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide?
The IUPAC name of 2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide (CID 143667870) is 2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide is CCC(C)Cc1ncccc1NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide?
The InChIKey is GWUKRVGQLNXQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-9(2)8-12-11(6-5-7-15-12)16-13(17)10(3)14/h5-7,9-10H,4,8,14H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide?
2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 143667870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).