N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide

C17H20N2O3 — CID 110650393

IUPACN-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide
SMILESCOc1ccc(OC)c(NC(=O)CC(C)c2cccnc2)c1
InChIInChI=1S/C17H20N2O3/c1-12(13-5-4-8-18-11-13)9-17(20)19-15-10-14(21-2)6-7-16(15)22-3/h4-8,10-12H,9H2,1-3H3,(H,19,20)
InChIKeyHEVFEFZZBCBTRX-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.23
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide

N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide (PubChem CID 110650393) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide
PubChem CID110650393
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide
SMILESCOc1ccc(OC)c(NC(=O)CC(C)c2cccnc2)c1
InChIInChI=1S/C17H20N2O3/c1-12(13-5-4-8-18-11-13)9-17(20)19-15-10-14(21-2)6-7-16(15)22-3/h4-8,10-12H,9H2,1-3H3,(H,19,20)
InChIKeyHEVFEFZZBCBTRX-UHFFFAOYSA-N
XLogP3.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide
CID 110651095
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
N-(2,5-dimethoxyphenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110422839
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanamide
CID 110297262
N-(2,5-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663324
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide
CID 119163981
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide
CID 110296795
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide (CID 110650393) is N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide is COc1ccc(OC)c(NC(=O)CC(C)c2cccnc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide?
The InChIKey is HEVFEFZZBCBTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(13-5-4-8-18-11-13)9-17(20)19-15-10-14(21-2)6-7-16(15)22-3/h4-8,10-12H,9H2,1-3H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide?
N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide has a molecular weight of 300.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide is sourced from PubChem (CID 110650393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).