2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide

C20H27N3O2 — CID 113019893

IUPAC2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccc(OC(C)C)cc2)nc1
InChIInChI=1S/C20H27N3O2/c1-5-15(6-2)20(24)23-17-9-12-19(21-13-17)22-16-7-10-18(11-8-16)25-14(3)4/h7-15H,5-6H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyDEXWTJGKQMDAFG-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.99
Rot. Bonds8

About 2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide

2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide (PubChem CID 113019893) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
PubChem CID113019893
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccc(OC(C)C)cc2)nc1
InChIInChI=1S/C20H27N3O2/c1-5-15(6-2)20(24)23-17-9-12-19(21-13-17)22-16-7-10-18(11-8-16)25-14(3)4/h7-15H,5-6H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyDEXWTJGKQMDAFG-UHFFFAOYSA-N
XLogP4.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113020858
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113019957
3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019912
ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate
CID 113034594
2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016204
2-ethyl-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]butanamide
CID 113034496
2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
CID 113021263
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903437
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659
2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
CID 113048284

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide (CID 113019893) is 2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide is CCC(CC)C(=O)Nc1ccc(Nc2ccc(OC(C)C)cc2)nc1.
What is the InChIKey of 2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide?
The InChIKey is DEXWTJGKQMDAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-15(6-2)20(24)23-17-9-12-19(21-13-17)22-16-7-10-18(11-8-16)25-14(3)4/h7-15H,5-6H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide?
2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide has a molecular weight of 341.46 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide is sourced from PubChem (CID 113019893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).