3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide

C25H22N4O — CID 45136907

IUPAC3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccncc3)c2)nc1
InChIInChI=1S/C25H22N4O/c1-17-3-6-24(28-14-17)22-11-21(20-7-9-26-10-8-20)12-23(13-22)25(30)29-16-19-5-4-18(2)27-15-19/h3-15H,16H2,1-2H3,(H,29,30)
InChIKeyMRVJRKSHMHGPDR-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.75
Rot. Bonds5

About 3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide

3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide (PubChem CID 45136907) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
PubChem CID45136907
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccncc3)c2)nc1
InChIInChI=1S/C25H22N4O/c1-17-3-6-24(28-14-17)22-11-21(20-7-9-26-10-8-20)12-23(13-22)25(30)29-16-19-5-4-18(2)27-15-19/h3-15H,16H2,1-2H3,(H,29,30)
InChIKeyMRVJRKSHMHGPDR-UHFFFAOYSA-N
XLogP4.75
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959971
3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
CID 91393472
3-(2-cyanophenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 45136905
3-N,3-N-dimethyl-5-(4-methylphenyl)-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,3-dicarboxamide
CID 58188040
3-(4-ethylphenyl)-5-[4-(hydroxymethyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959958
methyl-methylidene-[3-[3-(4-methylphenyl)-5-[(6-methyl-3-pyridinyl)methylcarbamoyl]phenyl]phenyl]azanium
CID 91550432
3-bromo-N-[(6-methyl-3-pyridinyl)methyl]-5-methylsulfonylbenzamide;3-bromo-5-methylsulfonylbenzoic acid;methyl 3-bromo-5-methylsulfonylbenzoate;3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-methylsulfonylbenzamide
CID 157256433
3-(5-methyl-2-pyridinyl)-5-methylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 162600667
3-[hydroxy(phenyl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 67523209
3-(1-hydroxy-2-pyrrolidin-1-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 58188361
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 58187998

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide?
The IUPAC name of 3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide (CID 45136907) is 3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(-c3ccncc3)c2)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide?
The InChIKey is MRVJRKSHMHGPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-17-3-6-24(28-14-17)22-11-21(20-7-9-26-10-8-20)12-23(13-22)25(30)29-16-19-5-4-18(2)27-15-19/h3-15H,16H2,1-2H3,(H,29,30).
What are the key properties of 3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide?
3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide has a molecular weight of 394.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide is sourced from PubChem (CID 45136907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).