N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide

C13H11N3O2S — CID 26187236

IUPACN-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1sccc1C#N
InChIInChI=1S/C13H11N3O2S/c1-2-18-12-10(4-3-6-15-12)11(17)16-13-9(8-14)5-7-19-13/h3-7H,2H2,1H3,(H,16,17)
InChIKeyDEDLQQFAGFJWCA-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.67
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide

N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide (PubChem CID 26187236) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide
PubChem CID26187236
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1sccc1C#N
InChIInChI=1S/C13H11N3O2S/c1-2-18-12-10(4-3-6-15-12)11(17)16-13-9(8-14)5-7-19-13/h3-7H,2H2,1H3,(H,16,17)
InChIKeyDEDLQQFAGFJWCA-UHFFFAOYSA-N
XLogP2.67
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide
CID 7578700
2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
(2-cyanophenyl) 2-ethoxypyridine-3-carboxylate
CID 17444587
N-(3-cyanothiophen-2-yl)-2-phenoxybenzamide
CID 7192379
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
CID 14015035
N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
CID 7164206
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide (CID 26187236) is N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide?
The InChIKey is DEDLQQFAGFJWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-2-18-12-10(4-3-6-15-12)11(17)16-13-9(8-14)5-7-19-13/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide?
N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 26187236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).