N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide

C19H25N3O3 — CID 113019957

IUPACN-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2cc(OC)ccc2OC)nc1
InChIInChI=1S/C19H25N3O3/c1-5-13(6-2)19(23)21-14-7-10-18(20-12-14)22-16-11-15(24-3)8-9-17(16)25-4/h7-13H,5-6H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyNVAJABJNHRWLEH-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.22
Rot. Bonds8

About N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide

N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide (PubChem CID 113019957) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide
PubChem CID113019957
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2cc(OC)ccc2OC)nc1
InChIInChI=1S/C19H25N3O3/c1-5-13(6-2)19(23)21-14-7-10-18(20-12-14)22-16-11-15(24-3)8-9-17(16)25-4/h7-13H,5-6H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyNVAJABJNHRWLEH-UHFFFAOYSA-N
XLogP4.22
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113019994
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610
ethyl N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]carbamate
CID 113034657
2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019893
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113019982
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113020002
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113018058
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113020858

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide?
The IUPAC name of N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide (CID 113019957) is N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide.
What is the SMILES notation for N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide?
The canonical SMILES for N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(Nc2cc(OC)ccc2OC)nc1.
What is the InChIKey of N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide?
The InChIKey is NVAJABJNHRWLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-5-13(6-2)19(23)21-14-7-10-18(20-12-14)22-16-11-15(24-3)8-9-17(16)25-4/h7-13H,5-6H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide?
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide has a molecular weight of 343.43 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide is sourced from PubChem (CID 113019957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).