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

C23H25N3O3 — CID 109189239

IUPAC5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(N(C)Cc3ccccc3)cn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-26(16-17-7-5-4-6-8-17)19-10-11-20(24-15-19)23(27)25-14-18-9-12-21(28-2)22(13-18)29-3/h4-13,15H,14,16H2,1-3H3,(H,25,27)
InChIKeyVVZXFRFIJZRPES-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.67
Rot. Bonds8

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

5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109189239) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109189239
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(N(C)Cc3ccccc3)cn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-26(16-17-7-5-4-6-8-17)19-10-11-20(24-15-19)23(27)25-14-18-9-12-21(28-2)22(13-18)29-3/h4-13,15H,14,16H2,1-3H3,(H,25,27)
InChIKeyVVZXFRFIJZRPES-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
5-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189231
5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193759
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109190853
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188273
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189485
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylanilino)pyrazine-2-carboxamide
CID 109285895
N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 112982300
5-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109180086
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide (CID 109189239) is 5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2ccc(N(C)Cc3ccccc3)cn2)cc1OC.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is VVZXFRFIJZRPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-26(16-17-7-5-4-6-8-17)19-10-11-20(24-15-19)23(27)25-14-18-9-12-21(28-2)22(13-18)29-3/h4-13,15H,14,16H2,1-3H3,(H,25,27).
What are the key properties of 5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109189239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).