N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide

C20H23N3O2 — CID 77090268

IUPACN-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCOCCN(Cc1ccncc1)C(=O)c1cc2ccc(C)cc2n1C
InChIInChI=1S/C20H23N3O2/c1-15-4-5-17-13-19(22(2)18(17)12-15)20(24)23(10-11-25-3)14-16-6-8-21-9-7-16/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeySOLSLBVHTCZSBX-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.17
Rot. Bonds6

About N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide

N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide (PubChem CID 77090268) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
PubChem CID77090268
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCOCCN(Cc1ccncc1)C(=O)c1cc2ccc(C)cc2n1C
InChIInChI=1S/C20H23N3O2/c1-15-4-5-17-13-19(22(2)18(17)12-15)20(24)23(10-11-25-3)14-16-6-8-21-9-7-16/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeySOLSLBVHTCZSBX-UHFFFAOYSA-N
XLogP3.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 77090295
3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 121085266
N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 121085114
3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 71796642
4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 121085063
N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 52906834
methyl 3-[benzyl-(1-methylindole-2-carbonyl)amino]propanoate
CID 55870706
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 46988777
2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 121085126
N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 72872777
N-(2-methoxyethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
CID 3227710

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide (CID 77090268) is N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide is COCCN(Cc1ccncc1)C(=O)c1cc2ccc(C)cc2n1C.
What is the InChIKey of N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The InChIKey is SOLSLBVHTCZSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-4-5-17-13-19(22(2)18(17)12-15)20(24)23(10-11-25-3)14-16-6-8-21-9-7-16/h4-9,12-13H,10-11,14H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 77090268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).