N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide

C17H19N3O3S — CID 91904262

IUPACN,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1OC1CCN(C(=O)c2cccs2)C1
InChIInChI=1S/C17H19N3O3S/c1-19(2)16(21)13-5-3-8-18-15(13)23-12-7-9-20(11-12)17(22)14-6-4-10-24-14/h3-6,8,10,12H,7,9,11H2,1-2H3
InChIKeyVGIKJDRCSRSDCE-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.14
Rot. Bonds4

About N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide

N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide (PubChem CID 91904262) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
PubChem CID91904262
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1OC1CCN(C(=O)c2cccs2)C1
InChIInChI=1S/C17H19N3O3S/c1-19(2)16(21)13-5-3-8-18-15(13)23-12-7-9-20(11-12)17(22)14-6-4-10-24-14/h3-6,8,10,12H,7,9,11H2,1-2H3
InChIKeyVGIKJDRCSRSDCE-UHFFFAOYSA-N
XLogP2.14
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide (CID 91904262) is N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide is CN(C)C(=O)c1cccnc1OC1CCN(C(=O)c2cccs2)C1.
What is the InChIKey of N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide?
The InChIKey is VGIKJDRCSRSDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-19(2)16(21)13-5-3-8-18-15(13)23-12-7-9-20(11-12)17(22)14-6-4-10-24-14/h3-6,8,10,12H,7,9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide?
N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 91904262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).