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

C19H15N5O3S — CID 137429661

IUPAC2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
SMILESO=C(COCc1cc[nH]c(=O)c1)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C19H15N5O3S/c25-15-9-12(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/h1-9H,10-11H2,(H,21,25)(H,22,23,24,26)
InChIKeyTVHAYMJRJNRQCB-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.60
Rot. Bonds6

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

2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide (PubChem CID 137429661) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
PubChem CID137429661
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC Name2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide
SMILESO=C(COCc1cc[nH]c(=O)c1)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C19H15N5O3S/c25-15-9-12(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/h1-9H,10-11H2,(H,21,25)(H,22,23,24,26)
InChIKeyTVHAYMJRJNRQCB-UHFFFAOYSA-N
XLogP2.60
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?
The IUPAC name of 2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide (CID 137429661) is 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 2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for 2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide is O=C(COCc1cc[nH]c(=O)c1)Nc1nc(-c2ccccn2)nc2sccc12.
What is the InChIKey of 2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?
The InChIKey is TVHAYMJRJNRQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c25-15-9-12(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/h1-9H,10-11H2,(H,21,25)(H,22,23,24,26).
What are the key properties of 2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide?
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 393.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 137429661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).