1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide

C26H26N4O — CID 78806465

IUPAC1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccncc2)Cc2cccnc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C26H26N4O/c1-20-15-25(21(2)30(20)19-22-7-4-3-5-8-22)26(31)29(17-23-10-13-27-14-11-23)18-24-9-6-12-28-16-24/h3-16H,17-19H2,1-2H3
InChIKeyZVHNVXFTDWZGDX-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.79
Rot. Bonds7

About 1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide

1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide (PubChem CID 78806465) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
PubChem CID78806465
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccncc2)Cc2cccnc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C26H26N4O/c1-20-15-25(21(2)30(20)19-22-7-4-3-5-8-22)26(31)29(17-23-10-13-27-14-11-23)18-24-9-6-12-28-16-24/h3-16H,17-19H2,1-2H3
InChIKeyZVHNVXFTDWZGDX-UHFFFAOYSA-N
XLogP4.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 86824271
1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 78820157
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56789485
2-bromo-5-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78816281
2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78811624
N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 78784155
N-benzyl-2-methyl-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 171678671
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86977437
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 62052013
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
2-[(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]propanoic acid
CID 119208694

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide (CID 78806465) is 1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccncc2)Cc2cccnc2)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is ZVHNVXFTDWZGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-20-15-25(21(2)30(20)19-22-7-4-3-5-8-22)26(31)29(17-23-10-13-27-14-11-23)18-24-9-6-12-28-16-24/h3-16H,17-19H2,1-2H3.
What are the key properties of 1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide?
1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 78806465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).