N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide

C19H22N4O5S — CID 166559533

IUPACN-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOCCOCCN(CCO)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C19H22N4O5S/c1-27-10-11-28-9-7-23(6-8-24)19(26)13-12-29-16-15(13)21-17(22-18(16)25)14-4-2-3-5-20-14/h2-5,12,24H,6-11H2,1H3,(H,21,22,25)
InChIKeyMNOPDDYVCZPNFW-UHFFFAOYSA-N
MW418.48 g/mol
LogP1.14
Rot. Bonds10

About N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide

N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 166559533) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID166559533
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOCCOCCN(CCO)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C19H22N4O5S/c1-27-10-11-28-9-7-23(6-8-24)19(26)13-12-29-16-15(13)21-17(22-18(16)25)14-4-2-3-5-20-14/h2-5,12,24H,6-11H2,1H3,(H,21,22,25)
InChIKeyMNOPDDYVCZPNFW-UHFFFAOYSA-N
XLogP1.14
TPSA117.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide (CID 166559533) is N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide is COCCOCCN(CCO)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.
What is the InChIKey of N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is MNOPDDYVCZPNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-27-10-11-28-9-7-23(6-8-24)19(26)13-12-29-16-15(13)21-17(22-18(16)25)14-4-2-3-5-20-14/h2-5,12,24H,6-11H2,1H3,(H,21,22,25).
What are the key properties of N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 1.14, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 166559533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).