3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide

C21H23N3O4 — CID 113011350

IUPAC3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(NCc3ccco3)nc2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-26-18-8-5-15(12-19(18)27-2)6-10-21(25)24-16-7-9-20(22-13-16)23-14-17-4-3-11-28-17/h3-5,7-9,11-13H,6,10,14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeySWHBAYHOPVSBDV-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.88
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide (PubChem CID 113011350) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide
PubChem CID113011350
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(NCc3ccco3)nc2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-26-18-8-5-15(12-19(18)27-2)6-10-21(25)24-16-7-9-20(22-13-16)23-14-17-4-3-11-28-17/h3-5,7-9,11-13H,6,10,14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeySWHBAYHOPVSBDV-UHFFFAOYSA-N
XLogP3.88
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(tert-butylamino)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113014809
3-amino-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide
CID 39179353
N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957093
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014017
3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide
CID 113031455
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858579
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113013990
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858581
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]pentanamide
CID 113026234
2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361
ethyl N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]carbamate
CID 113014023
3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide
CID 113047289

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide (CID 113011350) is 3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(NCc3ccco3)nc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide?
The InChIKey is SWHBAYHOPVSBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-18-8-5-15(12-19(18)27-2)6-10-21(25)24-16-7-9-20(22-13-16)23-14-17-4-3-11-28-17/h3-5,7-9,11-13H,6,10,14H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide has a molecular weight of 381.43 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide is sourced from PubChem (CID 113011350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).