1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide

C28H24N4O — CID 78820157

IUPAC1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
SMILESO=C(c1cn(Cc2ccccc2)c2ccccc12)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C28H24N4O/c33-28(32(19-23-12-15-29-16-13-23)20-24-9-6-14-30-17-24)26-21-31(18-22-7-2-1-3-8-22)27-11-5-4-10-25(26)27/h1-17,21H,18-20H2
InChIKeyAGDVKKXABPZWJM-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.32
Rot. Bonds7

About 1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide

1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide (PubChem CID 78820157) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
PubChem CID78820157
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
SMILESO=C(c1cn(Cc2ccccc2)c2ccccc12)N(Cc1ccncc1)Cc1cccnc1
InChIInChI=1S/C28H24N4O/c33-28(32(19-23-12-15-29-16-13-23)20-24-9-6-14-30-17-24)26-21-31(18-22-7-2-1-3-8-22)27-11-5-4-10-25(26)27/h1-17,21H,18-20H2
InChIKeyAGDVKKXABPZWJM-UHFFFAOYSA-N
XLogP5.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 78806465
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
1-benzyl-N-methyl-N-phenylindole-3-carboxamide
CID 26719094
2-(1-benzylindol-3-yl)-N-propan-2-yl-N-(pyridin-4-ylmethyl)acetamide
CID 10157671
N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide
CID 77094774
2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 71876328
1-benzoyl-N,N-dibenzylindole-3-carboxamide
CID 164674380
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
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56789485
1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 56789484
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide (CID 78820157) is 1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide is O=C(c1cn(Cc2ccccc2)c2ccccc12)N(Cc1ccncc1)Cc1cccnc1.
What is the InChIKey of 1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide?
The InChIKey is AGDVKKXABPZWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c33-28(32(19-23-12-15-29-16-13-23)20-24-9-6-14-30-17-24)26-21-31(18-22-7-2-1-3-8-22)27-11-5-4-10-25(26)27/h1-17,21H,18-20H2.
What are the key properties of 1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide?
1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 78820157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).