3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide

C39H32N10O4S2 — CID 157369913

IUPAC3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
SMILESCc1ccc(CCC(=O)Nc2nc(-c3ccccn3)nc3sccc23)cn1.O=C(COCc1cc[nH]c(=O)c1)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C20H17N5OS.C19H15N5O3S/c1-13-5-6-14(12-22-13)7-8-17(26)23-18-15-9-11-27-20(15)25-19(24-18)16-4-2-3-10-21-16;25-15-9-12(4-7-21-15)10-27-11-16(26)22-17-13-5-8-28-19(13)24-18(23-17)14-3-1-2-6-20-14/h2-6,9-12H,7-8H2,1H3,(H,23,24,25,26);1-9H,10-11H2,(H,21,25)(H,22,23,24,26)
InChIKeyBJQFAXZXACAMOS-UHFFFAOYSA-N
MW768.89 g/mol
LogP6.62
Rot. Bonds11

About 3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide

3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide (PubChem CID 157369913) has the molecular formula C39H32N10O4S2 and a molecular weight of 768.89 g/mol. Its IUPAC name is 3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
PubChem CID157369913
Molecular FormulaC39H32N10O4S2
Molecular Weight768.89 g/mol
Exact Mass768.20
IUPAC Name3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
SMILESCc1ccc(CCC(=O)Nc2nc(-c3ccccn3)nc3sccc23)cn1.O=C(COCc1cc[nH]c(=O)c1)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C20H17N5OS.C19H15N5O3S/c1-13-5-6-14(12-22-13)7-8-17(26)23-18-15-9-11-27-20(15)25-19(24-18)16-4-2-3-10-21-16;25-15-9-12(4-7-21-15)10-27-11-16(26)22-17-13-5-8-28-19(13)24-18(23-17)14-3-1-2-6-20-14/h2-6,9-12H,7-8H2,1H3,(H,23,24,25,26);1-9H,10-11H2,(H,21,25)(H,22,23,24,26)
InChIKeyBJQFAXZXACAMOS-UHFFFAOYSA-N
XLogP6.62
TPSA190.52 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.89
LogP ≤ 56.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide with MolForge

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Related Compounds

(3-(2-(2-Aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)phenyl)(4-(thiazol-2-yl)piperazin-1-yl)methanone
CID 59829388
[4-[5,6-Dimethyl-4-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]-piperazin-1-ylmethanone
CID 68419236
2-(pyridin-4-ylmethoxy)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
CID 137429447
4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 137429459
1-[2-[(1Z,3Z)-5-[2-[4-(4-methoxybutan-2-ylamino)thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-1-(methylideneamino)penta-1,3-dienyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 137429646
2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
CID 137429661
N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide
CID 141481230
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-3-[3-[6-[5-(4-methylcyclohexa-1,5-dien-1-yl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]piperidin-1-yl]sulfonyl-6-morpholin-4-ylcyclohexa-1,3-diene-1-carboxamide
CID 142506376
4-[2-[4-[4-[4-(Diethylamino)butan-2-ylamino]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-6-yl]-2-pyridinyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperazin-2-one
CID 142506527
4-[bis(2-methoxyethyl)amino]-2-[6-[6-[[2-[(2-methoxy-4-pyridinyl)methoxy]acetyl]amino]-2-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 142506918
1-N,1-N-diethyl-3-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine;ethane;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 145341892
1-[2-[6-[2-[4-(4-Methoxybutan-2-ylamino)thieno[2,3-d]pyrimidin-2-yl]-4-pyridinyl]-2-pyridinyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 146521535

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?
The IUPAC name of 3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide (CID 157369913) is 3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for 3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for 3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide is Cc1ccc(CCC(=O)Nc2nc(-c3ccccn3)nc3sccc23)cn1.O=C(COCc1cc[nH]c(=O)c1)Nc1nc(-c2ccccn2)nc2sccc12.
What is the InChIKey of 3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?
The InChIKey is BJQFAXZXACAMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS.C19H15N5O3S/c1-13-5-6-14(12-22-13)7-8-17(26)23-18-15-9-11-27-20(15)25-19(24-18)16-4-2-3-10-21-16;25-15-9-12(4-7-21-15)10-27-11-16(26)22-17-13-5-8-28-19(13)24-18(23-17)14-3-1-2-6-20-14/h2-6,9-12H,7-8H2,1H3,(H,23,24,25,26);1-9H,10-11H2,(H,21,25)(H,22,23,24,26).
What are the key properties of 3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?
3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide has a molecular weight of 768.89 g/mol, XLogP of 6.62, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3-pyridinyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 157369913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).