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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Related Compounds

N,N-diethyl-5-methyl-4-oxo-2-(pyridin-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 2101786
N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 2458771
2,5-dimethyl-4-oxo-3-{2-oxo-2-[(pyridin-3-ylmethyl)amino]ethyl}-N-(pyridin-3-ylmethyl)-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxamide
CID 659114
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide
CID 54758216
2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049338
2-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137129875
2-[6-methyl-5-(morpholin-4-ylsulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 3240985
10-oxo-N-(3-pyridinylmethyl)-10H-pyrido[1,2-a]thieno[3,2-d]pyrimidine-5-carboxamide
CID 4169684
3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4070562
2-({[4-hydroxy-6-(propan-2-yl)thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)-N-(pyridin-2-ylmethyl)acetamide
CID 49655475
N-(2-(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl)-6-(trifluoromethyl)nicotinamide
CID 91632377
6-Methyl-12-(pyridine-2-carbonyl)-4-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-2-one
CID 92429487

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).