N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide

C18H21N3O3S — CID 91904301

IUPACN-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1OC1CCN(C(=O)c2sccc2C)C1
InChIInChI=1S/C18H21N3O3S/c1-3-19-16(22)14-5-4-8-20-17(14)24-13-6-9-21(11-13)18(23)15-12(2)7-10-25-15/h4-5,7-8,10,13H,3,6,9,11H2,1-2H3,(H,19,22)
InChIKeyPRGDHVOLEZJEAY-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.49
Rot. Bonds5

About N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide

N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide (PubChem CID 91904301) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
PubChem CID91904301
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1OC1CCN(C(=O)c2sccc2C)C1
InChIInChI=1S/C18H21N3O3S/c1-3-19-16(22)14-5-4-8-20-17(14)24-13-6-9-21(11-13)18(23)15-12(2)7-10-25-15/h4-5,7-8,10,13H,3,6,9,11H2,1-2H3,(H,19,22)
InChIKeyPRGDHVOLEZJEAY-UHFFFAOYSA-N
XLogP2.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide (CID 91904301) is N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide is CCNC(=O)c1cccnc1OC1CCN(C(=O)c2sccc2C)C1.
What is the InChIKey of N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide?
The InChIKey is PRGDHVOLEZJEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-3-19-16(22)14-5-4-8-20-17(14)24-13-6-9-21(11-13)18(23)15-12(2)7-10-25-15/h4-5,7-8,10,13H,3,6,9,11H2,1-2H3,(H,19,22).
What are the key properties of N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide?
N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 91904301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).