N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide

C22H19N3O2 — CID 52935716

IUPACN-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c[nH]c3cc(-c4ccncc4)ccc23)c1
InChIInChI=1S/C22H19N3O2/c1-27-18-4-2-3-15(11-18)13-25-22(26)20-14-24-21-12-17(5-6-19(20)21)16-7-9-23-10-8-16/h2-12,14,24H,13H2,1H3,(H,25,26)
InChIKeyVLGGZKWVODZVTH-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.17
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide

N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide (PubChem CID 52935716) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide
PubChem CID52935716
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c[nH]c3cc(-c4ccncc4)ccc23)c1
InChIInChI=1S/C22H19N3O2/c1-27-18-4-2-3-15(11-18)13-25-22(26)20-14-24-21-12-17(5-6-19(20)21)16-7-9-23-10-8-16/h2-12,14,24H,13H2,1H3,(H,25,26)
InChIKeyVLGGZKWVODZVTH-UHFFFAOYSA-N
XLogP4.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide (CID 52935716) is N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide is COc1cccc(CNC(=O)c2c[nH]c3cc(-c4ccncc4)ccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide?
The InChIKey is VLGGZKWVODZVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-18-4-2-3-15(11-18)13-25-22(26)20-14-24-21-12-17(5-6-19(20)21)16-7-9-23-10-8-16/h2-12,14,24H,13H2,1H3,(H,25,26).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 52935716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).