2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide

C12H19N3O — CID 115268467

IUPAC2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NC)nc1
InChIInChI=1S/C12H19N3O/c1-4-9(5-2)12(16)15-10-6-7-11(13-3)14-8-10/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyXAFULOCMQKMNHL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.50
Rot. Bonds5

About 2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide

2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide (PubChem CID 115268467) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
PubChem CID115268467
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NC)nc1
InChIInChI=1S/C12H19N3O/c1-4-9(5-2)12(16)15-10-6-7-11(13-3)14-8-10/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyXAFULOCMQKMNHL-UHFFFAOYSA-N
XLogP2.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903437
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113020858
2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019893
2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016204
2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
CID 113021263
2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012657
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113018058
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347
[6-(methylamino)-3-pyridinyl]urea
CID 130725566
2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide
CID 113013197
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide (CID 115268467) is 2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide is CCC(CC)C(=O)Nc1ccc(NC)nc1.
What is the InChIKey of 2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide?
The InChIKey is XAFULOCMQKMNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-9(5-2)12(16)15-10-6-7-11(13-3)14-8-10/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide?
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide has a molecular weight of 221.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide is sourced from PubChem (CID 115268467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).