N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide

C11H17N3O — CID 112555256

IUPACN-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide
SMILESCc1cc(N)cnc1NC(=O)CC(C)C
InChIInChI=1S/C11H17N3O/c1-7(2)4-10(15)14-11-8(3)5-9(12)6-13-11/h5-7H,4,12H2,1-3H3,(H,13,14,15)
InChIKeyNLIVERYAIZVAMR-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.96
Rot. Bonds3

About N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide

N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide (PubChem CID 112555256) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide
PubChem CID112555256
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide
SMILESCc1cc(N)cnc1NC(=O)CC(C)C
InChIInChI=1S/C11H17N3O/c1-7(2)4-10(15)14-11-8(3)5-9(12)6-13-11/h5-7H,4,12H2,1-3H3,(H,13,14,15)
InChIKeyNLIVERYAIZVAMR-UHFFFAOYSA-N
XLogP1.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide (CID 112555256) is N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide is Cc1cc(N)cnc1NC(=O)CC(C)C.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide?
The InChIKey is NLIVERYAIZVAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)4-10(15)14-11-8(3)5-9(12)6-13-11/h5-7H,4,12H2,1-3H3,(H,13,14,15).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide?
N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide has a molecular weight of 207.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 112555256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).