1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide

C17H17N3O3 — CID 71883345

IUPAC1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2c[nH]ccc2=O)c2ccccc21
InChIInChI=1S/C17H17N3O3/c1-23-9-8-20-11-13(12-4-2-3-5-15(12)20)17(22)19-14-10-18-7-6-16(14)21/h2-7,10-11H,8-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyRZJYUXWWZMRNFL-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.23
Rot. Bonds5

About 1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide

1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide (PubChem CID 71883345) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide
PubChem CID71883345
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2c[nH]ccc2=O)c2ccccc21
InChIInChI=1S/C17H17N3O3/c1-23-9-8-20-11-13(12-4-2-3-5-15(12)20)17(22)19-14-10-18-7-6-16(14)21/h2-7,10-11H,8-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyRZJYUXWWZMRNFL-UHFFFAOYSA-N
XLogP2.23
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-pyridin-3-ylindole-3-carboxamide
CID 71701698
1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide
CID 146102064
1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 71709068
4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide
CID 51125764
3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701315
6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
CID 119219776
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949
N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide
CID 119032779
1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide
CID 167919547

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide (CID 71883345) is 1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide is COCCn1cc(C(=O)Nc2c[nH]ccc2=O)c2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide?
The InChIKey is RZJYUXWWZMRNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-23-9-8-20-11-13(12-4-2-3-5-15(12)20)17(22)19-14-10-18-7-6-16(14)21/h2-7,10-11H,8-9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide?
1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide is sourced from PubChem (CID 71883345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).