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

C18H23N3O — CID 113016204

IUPAC2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2cccc(C)c2)nc1
InChIInChI=1S/C18H23N3O/c1-4-14(5-2)18(22)21-16-9-10-17(19-12-16)20-15-8-6-7-13(3)11-15/h6-12,14H,4-5H2,1-3H3,(H,19,20)(H,21,22)
InChIKeySARKXMSJSTYYJB-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.51
Rot. Bonds6

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

2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide (PubChem CID 113016204) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
PubChem CID113016204
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2cccc(C)c2)nc1
InChIInChI=1S/C18H23N3O/c1-4-14(5-2)18(22)21-16-9-10-17(19-12-16)20-15-8-6-7-13(3)11-15/h6-12,14H,4-5H2,1-3H3,(H,19,20)(H,21,22)
InChIKeySARKXMSJSTYYJB-UHFFFAOYSA-N
XLogP4.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
CID 113021263
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]propanamide
CID 113016197
N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016196
N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide
CID 110179055
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113020858
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113022012
2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019893
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113018058
2-ethyl-N-(3-methylphenyl)pentanamide
CID 20659416
2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903437

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide (CID 113016204) is 2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide is CCC(CC)C(=O)Nc1ccc(Nc2cccc(C)c2)nc1.
What is the InChIKey of 2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide?
The InChIKey is SARKXMSJSTYYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-14(5-2)18(22)21-16-9-10-17(19-12-16)20-15-8-6-7-13(3)11-15/h6-12,14H,4-5H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide?
2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide has a molecular weight of 297.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide is sourced from PubChem (CID 113016204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).