N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide

C18H12N4O2S — CID 56820177

IUPACN-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide
SMILESO=C(Nc1cccnc1)c1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C18H12N4O2S/c23-16(22-13-2-1-8-19-10-13)12-3-5-14(6-4-12)24-17-15-7-9-25-18(15)21-11-20-17/h1-11H,(H,22,23)
InChIKeyNWDFZBAOMYFPGU-UHFFFAOYSA-N
MW348.39 g/mol
LogP4.13
Rot. Bonds4

About N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide

N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide (PubChem CID 56820177) has the molecular formula C18H12N4O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide
PubChem CID56820177
Molecular FormulaC18H12N4O2S
Molecular Weight348.39 g/mol
Exact Mass348.07
IUPAC NameN-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide
SMILESO=C(Nc1cccnc1)c1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C18H12N4O2S/c23-16(22-13-2-1-8-19-10-13)12-3-5-14(6-4-12)24-17-15-7-9-25-18(15)21-11-20-17/h1-11H,(H,22,23)
InChIKeyNWDFZBAOMYFPGU-UHFFFAOYSA-N
XLogP4.13
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzamide
CID 9110957
3-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395660
2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid
CID 61395524
[4-(pyridin-3-ylcarbamoyl)phenyl] propanoate
CID 2995644
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide
CID 9112729
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109087
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 2300708
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-4-phenoxybenzamide
CID 4788207
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide?
The IUPAC name of N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide (CID 56820177) is N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide.
What is the SMILES notation for N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide?
The canonical SMILES for N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide is O=C(Nc1cccnc1)c1ccc(Oc2ncnc3sccc23)cc1.
What is the InChIKey of N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide?
The InChIKey is NWDFZBAOMYFPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2S/c23-16(22-13-2-1-8-19-10-13)12-3-5-14(6-4-12)24-17-15-7-9-25-18(15)21-11-20-17/h1-11H,(H,22,23).
What are the key properties of N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide?
N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide has a molecular weight of 348.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide is sourced from PubChem (CID 56820177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).