N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide

C17H21N3O3 — CID 113020075

IUPACN-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C17H21N3O3/c1-4-5-17(21)20-13-7-9-16(18-11-13)19-12-6-8-14(22-2)15(10-12)23-3/h6-11H,4-5H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyNTZAZIIQOOKLDN-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.58
Rot. Bonds7

About N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide

N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide (PubChem CID 113020075) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
PubChem CID113020075
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C17H21N3O3/c1-4-5-17(21)20-13-7-9-16(18-11-13)19-12-6-8-14(22-2)15(10-12)23-3/h6-11H,4-5H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyNTZAZIIQOOKLDN-UHFFFAOYSA-N
XLogP3.58
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113020119
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113020114
methyl 4-[[5-(butanoylamino)-2-pyridinyl]amino]benzoate
CID 113020725
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016196
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide
CID 113013351
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113019106
N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide
CID 113022004
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
CID 113022156

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide?
The IUPAC name of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide (CID 113020075) is N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide?
The canonical SMILES for N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(Nc2ccc(OC)c(OC)c2)nc1.
What is the InChIKey of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide?
The InChIKey is NTZAZIIQOOKLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-5-17(21)20-13-7-9-16(18-11-13)19-12-6-8-14(22-2)15(10-12)23-3/h6-11H,4-5H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide?
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide has a molecular weight of 315.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide is sourced from PubChem (CID 113020075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).