1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide

C18H19N3O2 — CID 71700512

IUPAC1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)NCc2cccnc2)cc2ccccc21
InChIInChI=1S/C18H19N3O2/c1-23-10-9-21-16-7-3-2-6-15(16)11-17(21)18(22)20-13-14-5-4-8-19-12-14/h2-8,11-12H,9-10,13H2,1H3,(H,20,22)
InChIKeyOXVZNRSLHRWFBO-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.61
Rot. Bonds6

About 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide

1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide (PubChem CID 71700512) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
PubChem CID71700512
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)NCc2cccnc2)cc2ccccc21
InChIInChI=1S/C18H19N3O2/c1-23-10-9-21-16-7-3-2-6-15(16)11-17(21)18(22)20-13-14-5-4-8-19-12-14/h2-8,11-12H,9-10,13H2,1H3,(H,20,22)
InChIKeyOXVZNRSLHRWFBO-UHFFFAOYSA-N
XLogP2.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxo-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 172882568
2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 171701221
3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 100830411
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide
CID 97446919
1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide
CID 71704732
1-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 20857406
7-fluoro-1-oxo-2-propyl-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 172904800
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide (CID 71700512) is 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide is COCCn1c(C(=O)NCc2cccnc2)cc2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide?
The InChIKey is OXVZNRSLHRWFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-10-9-21-16-7-3-2-6-15(16)11-17(21)18(22)20-13-14-5-4-8-19-12-14/h2-8,11-12H,9-10,13H2,1H3,(H,20,22).
What are the key properties of 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide?
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 71700512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).