3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide

C19H23N3O4 — CID 112993071

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(=O)NCc2cccnc2)cc1OC
InChIInChI=1S/C19H23N3O4/c1-25-16-7-5-14(10-17(16)26-2)6-8-18(23)22-13-19(24)21-12-15-4-3-9-20-11-15/h3-5,7,9-11H,6,8,12-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOPPQPSRJZQKSNI-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.46
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide (PubChem CID 112993071) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
PubChem CID112993071
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(=O)NCc2cccnc2)cc1OC
InChIInChI=1S/C19H23N3O4/c1-25-16-7-5-14(10-17(16)26-2)6-8-18(23)22-13-19(24)21-12-15-4-3-9-20-11-15/h3-5,7,9-11H,6,8,12-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOPPQPSRJZQKSNI-UHFFFAOYSA-N
XLogP1.46
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926042
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 112994012
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 34425823
3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113145189
3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 110744092

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide (CID 112993071) is 3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide is COc1ccc(CCC(=O)NCC(=O)NCc2cccnc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide?
The InChIKey is OPPQPSRJZQKSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-25-16-7-5-14(10-17(16)26-2)6-8-18(23)22-13-19(24)21-12-15-4-3-9-20-11-15/h3-5,7,9-11H,6,8,12-13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide has a molecular weight of 357.41 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide is sourced from PubChem (CID 112993071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).