3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide

C18H22N2O4 — CID 110651095

IUPAC3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide
SMILESCOc1cc(NC(=O)CC(C)c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O4/c1-12(13-6-5-7-19-11-13)8-17(21)20-14-9-15(22-2)18(24-4)16(10-14)23-3/h5-7,9-12H,8H2,1-4H3,(H,20,21)
InChIKeyDFPVKOPDVGYECL-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.24
Rot. Bonds7

About 3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide

3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide (PubChem CID 110651095) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide.

Molecular Properties

Compound Name3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide
PubChem CID110651095
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide
SMILESCOc1cc(NC(=O)CC(C)c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O4/c1-12(13-6-5-7-19-11-13)8-17(21)20-14-9-15(22-2)18(24-4)16(10-14)23-3/h5-7,9-12H,8H2,1-4H3,(H,20,21)
InChIKeyDFPVKOPDVGYECL-UHFFFAOYSA-N
XLogP3.24
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide
CID 110650393
N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide
CID 110650746
N-(2-methylpropyl)-3-pyridin-3-ylbutanamide
CID 110647374
3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid
CID 110447340
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
2-pyrimidin-2-ylsulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2592805
1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92875917
N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110647997
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110648100
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97089206

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide?
The IUPAC name of 3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide (CID 110651095) is 3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide.
What is the SMILES notation for 3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide?
The canonical SMILES for 3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide is COc1cc(NC(=O)CC(C)c2cccnc2)cc(OC)c1OC.
What is the InChIKey of 3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide?
The InChIKey is DFPVKOPDVGYECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(13-6-5-7-19-11-13)8-17(21)20-14-9-15(22-2)18(24-4)16(10-14)23-3/h5-7,9-12H,8H2,1-4H3,(H,20,21).
What are the key properties of 3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide?
3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide has a molecular weight of 330.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide is sourced from PubChem (CID 110651095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).