5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide

C27H25N3O2 — CID 25060382

IUPAC5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)c1
InChIInChI=1S/C27H25N3O2/c1-18-10-19(2)12-22(11-18)23-14-25(26(29-17-23)21-7-5-9-28-16-21)27(31)30-15-20-6-4-8-24(13-20)32-3/h4-14,16-17H,15H2,1-3H3,(H,30,31)
InChIKeyDTNUVBAESWSCAN-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.37
Rot. Bonds6

About 5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide

5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 25060382) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
PubChem CID25060382
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)c1
InChIInChI=1S/C27H25N3O2/c1-18-10-19(2)12-22(11-18)23-14-25(26(29-17-23)21-7-5-9-28-16-21)27(31)30-15-20-6-4-8-24(13-20)32-3/h4-14,16-17H,15H2,1-3H3,(H,30,31)
InChIKeyDTNUVBAESWSCAN-UHFFFAOYSA-N
XLogP5.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
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6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
CID 24896566
5-(3,5-Dichlorophenyl)-n-(3,4-dimethoxybenzyl)-2,3'-bipyridine-3-carboxamide
CID 25060119
5-(3-chloro-5-fluorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide (CID 25060382) is 5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide is COc1cccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is DTNUVBAESWSCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-18-10-19(2)12-22(11-18)23-14-25(26(29-17-23)21-7-5-9-28-16-21)27(31)30-15-20-6-4-8-24(13-20)32-3/h4-14,16-17H,15H2,1-3H3,(H,30,31).
What are the key properties of 5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 25060382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).