N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide

C13H21N3O — CID 113464422

IUPACN-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide
SMILESCc1cc(NC(C)C(=O)NC(C)(C)C)ccn1
InChIInChI=1S/C13H21N3O/c1-9-8-11(6-7-14-9)15-10(2)12(17)16-13(3,4)5/h6-8,10H,1-5H3,(H,14,15)(H,16,17)
InChIKeyXOSMFIMYBFJGFX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.11
Rot. Bonds3

About N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide

N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide (PubChem CID 113464422) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide
PubChem CID113464422
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide
SMILESCc1cc(NC(C)C(=O)NC(C)(C)C)ccn1
InChIInChI=1S/C13H21N3O/c1-9-8-11(6-7-14-9)15-10(2)12(17)16-13(3,4)5/h6-8,10H,1-5H3,(H,14,15)(H,16,17)
InChIKeyXOSMFIMYBFJGFX-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide (CID 113464422) is N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide is Cc1cc(NC(C)C(=O)NC(C)(C)C)ccn1.
What is the InChIKey of N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide?
The InChIKey is XOSMFIMYBFJGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-8-11(6-7-14-9)15-10(2)12(17)16-13(3,4)5/h6-8,10H,1-5H3,(H,14,15)(H,16,17).
What are the key properties of N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide?
N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide is sourced from PubChem (CID 113464422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).