N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide

C24H25N3O4 — CID 108926042

IUPACN-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCC(=O)NCc2ccccc2NC(=O)c2cccnc2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-30-21-11-9-17(14-22(21)31-2)10-12-23(28)26-16-18-6-3-4-8-20(18)27-24(29)19-7-5-13-25-15-19/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyBRDWYYZEBYLDTB-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.60
Rot. Bonds9

About N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide

N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926042) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926042
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCC(=O)NCc2ccccc2NC(=O)c2cccnc2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-30-21-11-9-17(14-22(21)31-2)10-12-23(28)26-16-18-6-3-4-8-20(18)27-24(29)19-7-5-13-25-15-19/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyBRDWYYZEBYLDTB-UHFFFAOYSA-N
XLogP3.60
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926146
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926070
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925892
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925861
[4-[[2-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931691

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide (CID 108926042) is N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide is COc1ccc(CCC(=O)NCc2ccccc2NC(=O)c2cccnc2)cc1OC.
What is the InChIKey of N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is BRDWYYZEBYLDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-21-11-9-17(14-22(21)31-2)10-12-23(28)26-16-18-6-3-4-8-20(18)27-24(29)19-7-5-13-25-15-19/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide?
N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).