N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide

C39H32N10O4S2 — CID 145341870

IUPACN-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=C(NCCc1cccnc1)c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C20H17N5O2S.C19H15N5O2S/c1-25(11-7-13-5-9-21-10-6-13)20(27)14-12-28-17-16(14)23-18(24-19(17)26)15-4-2-3-8-22-15;25-18(22-9-6-12-4-3-7-20-10-12)13-11-27-16-15(13)23-17(24-19(16)26)14-5-1-2-8-21-14/h2-6,8-10,12H,7,11H2,1H3,(H,23,24,26);1-5,7-8,10-11H,6,9H2,(H,22,25)(H,23,24,26)
InChIKeyDBISDZUTHMFVRY-UHFFFAOYSA-N
MW768.89 g/mol
LogP5.17
Rot. Bonds10

About N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide

N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 145341870) has the molecular formula C39H32N10O4S2 and a molecular weight of 768.89 g/mol. Its IUPAC name is N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID145341870
Molecular FormulaC39H32N10O4S2
Molecular Weight768.89 g/mol
Exact Mass768.20
IUPAC NameN-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=C(NCCc1cccnc1)c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C20H17N5O2S.C19H15N5O2S/c1-25(11-7-13-5-9-21-10-6-13)20(27)14-12-28-17-16(14)23-18(24-19(17)26)15-4-2-3-8-22-15;25-18(22-9-6-12-4-3-7-20-10-12)13-11-27-16-15(13)23-17(24-19(16)26)14-5-1-2-8-21-14/h2-6,8-10,12H,7,11H2,1H3,(H,23,24,26);1-5,7-8,10-11H,6,9H2,(H,22,25)(H,23,24,26)
InChIKeyDBISDZUTHMFVRY-UHFFFAOYSA-N
XLogP5.17
TPSA192.47 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.89
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

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-(4-methylbenzyl)-2-{[4-oxo-3-(pyridin-2-ylmethyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]thio}acetamide
CID 4374493
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide
CID 54758216
2-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3-methyl-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049193
2-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-3-methyl-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049206
2-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049240
2-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049244
2-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137129875
N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide
CID 54757416
US10940139, Example 02680
CID 137223309
US10940139, Example 02761
CID 137429435
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3299388

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide (CID 145341870) is N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide is CN(CCc1ccncc1)C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=C(NCCc1cccnc1)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.
What is the InChIKey of N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is DBISDZUTHMFVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S.C19H15N5O2S/c1-25(11-7-13-5-9-21-10-6-13)20(27)14-12-28-17-16(14)23-18(24-19(17)26)15-4-2-3-8-22-15;25-18(22-9-6-12-4-3-7-20-10-12)13-11-27-16-15(13)23-17(24-19(16)26)14-5-1-2-8-21-14/h2-6,8-10,12H,7,11H2,1H3,(H,23,24,26);1-5,7-8,10-11H,6,9H2,(H,22,25)(H,23,24,26).
What are the key properties of N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide?
N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 768.89 g/mol, XLogP of 5.17, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 145341870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).