5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide

C23H25N3O3 — CID 109190853

IUPAC5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C23H25N3O3/c1-4-26(16-17-8-6-5-7-9-17)19-11-12-20(24-15-19)23(27)25-18-10-13-21(28-2)22(14-18)29-3/h5-15H,4,16H2,1-3H3,(H,25,27)
InChIKeyZUJGJMLROJLWIS-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.38
Rot. Bonds8

About 5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide

5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109190853) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID109190853
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C23H25N3O3/c1-4-26(16-17-8-6-5-7-9-17)19-11-12-20(24-15-19)23(27)25-18-10-13-21(28-2)22(14-18)29-3/h5-15H,4,16H2,1-3H3,(H,25,27)
InChIKeyZUJGJMLROJLWIS-UHFFFAOYSA-N
XLogP4.38
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109190828
5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109190822
methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate
CID 109190861
5-[benzyl(ethyl)amino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109190820
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119015
5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109282890
6-(diethylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124336
5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181423
5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189239
5-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109182187
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide (CID 109190853) is 5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide is CCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)nc1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is ZUJGJMLROJLWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-26(16-17-8-6-5-7-9-17)19-11-12-20(24-15-19)23(27)25-18-10-13-21(28-2)22(14-18)29-3/h5-15H,4,16H2,1-3H3,(H,25,27).
What are the key properties of 5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide?
5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109190853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).