5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide

C26H22N4O2 — CID 66632627

IUPAC5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(-c2ccc(C(=O)NCc3ccc(-c4ccnc(C)c4)nc3)nc2)c1
InChIInChI=1S/C26H22N4O2/c1-17-12-22(10-11-27-17)24-8-6-19(14-28-24)15-30-26(32)25-9-7-23(16-29-25)21-5-3-4-20(13-21)18(2)31/h3-14,16H,15H2,1-2H3,(H,30,32)
InChIKeyCOPFDQIFQUSJGE-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.65
Rot. Bonds6

About 5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide

5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 66632627) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID66632627
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(-c2ccc(C(=O)NCc3ccc(-c4ccnc(C)c4)nc3)nc2)c1
InChIInChI=1S/C26H22N4O2/c1-17-12-22(10-11-27-17)24-8-6-19(14-28-24)15-30-26(32)25-9-7-23(16-29-25)21-5-3-4-20(13-21)18(2)31/h3-14,16H,15H2,1-2H3,(H,30,32)
InChIKeyCOPFDQIFQUSJGE-UHFFFAOYSA-N
XLogP4.65
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56598625
5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-(3-cyanophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-[3-(dimethylamino)phenyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide;5-(3-fluorophenyl)-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-(4-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 159907883
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 118500238
2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 117089751
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
5-[4-methyl-6-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrimidin-2-yl]-N-[(6-phenyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 135256683
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
CID 56598085
3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
CID 125179850
3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
CID 45136907
6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 118043574
2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70300494

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 66632627) is 5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide is CC(=O)c1cccc(-c2ccc(C(=O)NCc3ccc(-c4ccnc(C)c4)nc3)nc2)c1.
What is the InChIKey of 5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is COPFDQIFQUSJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-17-12-22(10-11-27-17)24-8-6-19(14-28-24)15-30-26(32)25-9-7-23(16-29-25)21-5-3-4-20(13-21)18(2)31/h3-14,16H,15H2,1-2H3,(H,30,32).
What are the key properties of 5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 66632627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).