1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide

C26H28N4O2 — CID 52935713

IUPAC1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3ccc(-c4ccncc4)cc3n2CCN(C)C)c1
InChIInChI=1S/C26H28N4O2/c1-29(2)13-14-30-24-16-21(20-9-11-27-12-10-20)7-8-22(24)17-25(30)26(31)28-18-19-5-4-6-23(15-19)32-3/h4-12,15-17H,13-14,18H2,1-3H3,(H,28,31)
InChIKeyJXZOFYKLFYBNDO-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.20
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide

1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide (PubChem CID 52935713) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide
PubChem CID52935713
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3ccc(-c4ccncc4)cc3n2CCN(C)C)c1
InChIInChI=1S/C26H28N4O2/c1-29(2)13-14-30-24-16-21(20-9-11-27-12-10-20)7-8-22(24)17-25(30)26(31)28-18-19-5-4-6-23(15-19)32-3/h4-12,15-17H,13-14,18H2,1-3H3,(H,28,31)
InChIKeyJXZOFYKLFYBNDO-UHFFFAOYSA-N
XLogP4.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117077844
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 53149854
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 44996182
N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840926
N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70739975
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 4518419
N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 67108105
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
1-[(3-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea;hydrochloride
CID 87406316

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide (CID 52935713) is 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide is COc1cccc(CNC(=O)c2cc3ccc(-c4ccncc4)cc3n2CCN(C)C)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide?
The InChIKey is JXZOFYKLFYBNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-29(2)13-14-30-24-16-21(20-9-11-27-12-10-20)7-8-22(24)17-25(30)26(31)28-18-19-5-4-6-23(15-19)32-3/h4-12,15-17H,13-14,18H2,1-3H3,(H,28,31).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide?
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide is sourced from PubChem (CID 52935713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).