N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C22H24N4O3S — CID 127248284

IUPACN-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1sc2ncccc2c1C1CCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C22H24N4O3S/c1-29-12-10-24-21(28)20-19(17-6-4-9-25-22(17)30-20)15-7-11-26(14-15)18(27)13-16-5-2-3-8-23-16/h2-6,8-9,15H,7,10-14H2,1H3,(H,24,28)
InChIKeySEDUTHDIIWCNTG-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.63
Rot. Bonds7

About N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 127248284) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID127248284
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1sc2ncccc2c1C1CCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C22H24N4O3S/c1-29-12-10-24-21(28)20-19(17-6-4-9-25-22(17)30-20)15-7-11-26(14-15)18(27)13-16-5-2-3-8-23-16/h2-6,8-9,15H,7,10-14H2,1H3,(H,24,28)
InChIKeySEDUTHDIIWCNTG-UHFFFAOYSA-N
XLogP2.63
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 127248284) is N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is COCCNC(=O)c1sc2ncccc2c1C1CCN(C(=O)Cc2ccccn2)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SEDUTHDIIWCNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-29-12-10-24-21(28)20-19(17-6-4-9-25-22(17)30-20)15-7-11-26(14-15)18(27)13-16-5-2-3-8-23-16/h2-6,8-9,15H,7,10-14H2,1H3,(H,24,28).
What are the key properties of N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 127248284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).