2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide

C13H19N3O2 — CID 1452729

IUPAC2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C13H19N3O2/c1-5-11(17)16-10-7-6-9(8-14-10)15-12(18)13(2,3)4/h6-8H,5H2,1-4H3,(H,15,18)(H,14,16,17)
InChIKeyYVUBCQMFDBBACI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.41
Rot. Bonds3

About 2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide

2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide (PubChem CID 1452729) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide
PubChem CID1452729
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C13H19N3O2/c1-5-11(17)16-10-7-6-9(8-14-10)15-12(18)13(2,3)4/h6-8H,5H2,1-4H3,(H,15,18)(H,14,16,17)
InChIKeyYVUBCQMFDBBACI-UHFFFAOYSA-N
XLogP2.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 1452758
N-[5-(propylamino)-2-pyridinyl]propanamide
CID 113023412
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
CID 113027073
N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113026364
N-[6-(propanoylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 43812722
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113016953
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113012346

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide (CID 1452729) is 2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide?
The InChIKey is YVUBCQMFDBBACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-5-11(17)16-10-7-6-9(8-14-10)15-12(18)13(2,3)4/h6-8H,5H2,1-4H3,(H,15,18)(H,14,16,17).
What are the key properties of 2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide?
2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide has a molecular weight of 249.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide is sourced from PubChem (CID 1452729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).