3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide

C19H23N3O4 — CID 113120669

IUPAC3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(Cc2ccncc2)C(C)=O)c(OC)c1
InChIInChI=1S/C19H23N3O4/c1-14(23)22(13-15-6-9-20-10-7-15)11-8-19(24)21-17-5-4-16(25-2)12-18(17)26-3/h4-7,9-10,12H,8,11,13H2,1-3H3,(H,21,24)
InChIKeyTXEAWUBLXWFTAS-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.48
Rot. Bonds8

About 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide

3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 113120669) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID113120669
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(Cc2ccncc2)C(C)=O)c(OC)c1
InChIInChI=1S/C19H23N3O4/c1-14(23)22(13-15-6-9-20-10-7-15)11-8-19(24)21-17-5-4-16(25-2)12-18(17)26-3/h4-7,9-10,12H,8,11,13H2,1-3H3,(H,21,24)
InChIKeyTXEAWUBLXWFTAS-UHFFFAOYSA-N
XLogP2.48
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113163882
3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113115251
N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140115
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethylphenyl)propanamide
CID 113119942
3-[acetyl(benzyl)amino]-N-(2-amino-5-methoxyphenyl)propanamide;hydrochloride
CID 119420682
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113120467
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
CID 113119822
N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985621
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid
CID 171154507

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide (CID 113120669) is 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(Cc2ccncc2)C(C)=O)c(OC)c1.
What is the InChIKey of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is TXEAWUBLXWFTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-14(23)22(13-15-6-9-20-10-7-15)11-8-19(24)21-17-5-4-16(25-2)12-18(17)26-3/h4-7,9-10,12H,8,11,13H2,1-3H3,(H,21,24).
What are the key properties of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide?
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 357.41 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113120669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).