N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide

C28H24N4O — CID 25060903

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1[nH]c2ccc(CNC(=O)c3cc(-c4ccccc4)cnc3-c3cccnc3)cc2c1C
InChIInChI=1S/C28H24N4O/c1-18-19(2)32-26-11-10-20(13-24(18)26)15-31-28(33)25-14-23(21-7-4-3-5-8-21)17-30-27(25)22-9-6-12-29-16-22/h3-14,16-17,32H,15H2,1-2H3,(H,31,33)
InChIKeyYNYLBEHVWPZLNM-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.84
Rot. Bonds5

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 25060903) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide
PubChem CID25060903
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1[nH]c2ccc(CNC(=O)c3cc(-c4ccccc4)cnc3-c3cccnc3)cc2c1C
InChIInChI=1S/C28H24N4O/c1-18-19(2)32-26-11-10-20(13-24(18)26)15-31-28(33)25-14-23(21-7-4-3-5-8-21)17-30-27(25)22-9-6-12-29-16-22/h3-14,16-17,32H,15H2,1-2H3,(H,31,33)
InChIKeyYNYLBEHVWPZLNM-UHFFFAOYSA-N
XLogP5.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25487904
N-ethyl-2-phenyl-5-pyridin-3-ylpyridine-3-carboxamide
CID 58539044
3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride
CID 70490518
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
CID 166188155
1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 47080000
N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
CID 177460304
2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 134035985
2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide
CID 91363537
2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide
CID 56552524
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide (CID 25060903) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide is Cc1[nH]c2ccc(CNC(=O)c3cc(-c4ccccc4)cnc3-c3cccnc3)cc2c1C.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is YNYLBEHVWPZLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c1-18-19(2)32-26-11-10-20(13-24(18)26)15-31-28(33)25-14-23(21-7-4-3-5-8-21)17-30-27(25)22-9-6-12-29-16-22/h3-14,16-17,32H,15H2,1-2H3,(H,31,33).
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 25060903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).