6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C21H18N4O — CID 117093745

IUPAC6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCn1ccc2cc(-c3cccc(C(=O)NCc4cccnc4)n3)ccc21
InChIInChI=1S/C21H18N4O/c1-25-11-9-17-12-16(7-8-20(17)25)18-5-2-6-19(24-18)21(26)23-14-15-4-3-10-22-13-15/h2-13H,14H2,1H3,(H,23,26)
InChIKeyFXHGLQJWEVTCNY-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.57
Rot. Bonds4

About 6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 117093745) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID117093745
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCn1ccc2cc(-c3cccc(C(=O)NCc4cccnc4)n3)ccc21
InChIInChI=1S/C21H18N4O/c1-25-11-9-17-12-16(7-8-20(17)25)18-5-2-6-19(24-18)21(26)23-14-15-4-3-10-22-13-15/h2-13H,14H2,1H3,(H,23,26)
InChIKeyFXHGLQJWEVTCNY-UHFFFAOYSA-N
XLogP3.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 117083141
6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134806937
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134811001
6-(4-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134807730
6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134807721
dicopper;methanol;bis(6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylate);dichloride;pentahydrate
CID 139158103
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098258
2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094037
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 117093745) is 6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is Cn1ccc2cc(-c3cccc(C(=O)NCc4cccnc4)n3)ccc21.
What is the InChIKey of 6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is FXHGLQJWEVTCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-25-11-9-17-12-16(7-8-20(17)25)18-5-2-6-19(24-18)21(26)23-14-15-4-3-10-22-13-15/h2-13H,14H2,1H3,(H,23,26).
What are the key properties of 6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 117093745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).