N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide

C21H20N2O3 — CID 110683588

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccccc3)cn2)cc1OC
InChIInChI=1S/C21H20N2O3/c1-25-19-11-8-15(12-20(19)26-2)13-23-21(24)18-10-9-17(14-22-18)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyXTBOKIHEGPGWTP-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.70
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide (PubChem CID 110683588) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
PubChem CID110683588
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccccc3)cn2)cc1OC
InChIInChI=1S/C21H20N2O3/c1-25-19-11-8-15(12-20(19)26-2)13-23-21(24)18-10-9-17(14-22-18)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyXTBOKIHEGPGWTP-UHFFFAOYSA-N
XLogP3.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683577
5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189239
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188273
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189485
5-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109180086
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193759
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497970
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide (CID 110683588) is N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide is COc1ccc(CNC(=O)c2ccc(-c3ccccc3)cn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide?
The InChIKey is XTBOKIHEGPGWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-19-11-8-15(12-20(19)26-2)13-23-21(24)18-10-9-17(14-22-18)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide is sourced from PubChem (CID 110683588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).