2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide

C17H12N4O2S — CID 44528595

IUPAC2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(-c2ccccn2)nc2ccsc12
InChIInChI=1S/C17H12N4O2S/c1-10-11(5-8-23-10)17(22)21-16-14-12(6-9-24-14)19-15(20-16)13-4-2-3-7-18-13/h2-9H,1H3,(H,19,20,21,22)
InChIKeyUPKIGBMYVJKTHD-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.91
Rot. Bonds3

About 2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide

2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide (PubChem CID 44528595) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide
PubChem CID44528595
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(-c2ccccn2)nc2ccsc12
InChIInChI=1S/C17H12N4O2S/c1-10-11(5-8-23-10)17(22)21-16-14-12(6-9-24-14)19-15(20-16)13-4-2-3-7-18-13/h2-9H,1H3,(H,19,20,21,22)
InChIKeyUPKIGBMYVJKTHD-UHFFFAOYSA-N
XLogP3.91
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(furan-2-yl)-2-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 168274325
3-methoxy-N-[4-[4-[[(3R)-pyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]benzamide
CID 89596374
Furan-2-carboxylic acid {4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-amide
CID 89596378
(2S)-1-N-[2-(3-fluoro-4-pyridinyl)-7-(furan-2-yl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596442
(2S)-1-N-[7-[4-(aminomethyl)furan-2-yl]-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596664
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]furan-3-carboxamide
CID 137539194
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]furan-3-carboxamide
CID 137539504
N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 137539649
[2-[(6-Methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 137539242
Azetidin-1-yl-[2-[(6-ethoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 142540078
2-methyl-5-thiophen-2-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]furan-3-carboxamide
CID 2796041
N-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]thieno[3,2-d]pyrimidin-4-amine
CID 164613399

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide (CID 44528595) is 2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide is Cc1occc1C(=O)Nc1nc(-c2ccccn2)nc2ccsc12.
What is the InChIKey of 2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide?
The InChIKey is UPKIGBMYVJKTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-10-11(5-8-23-10)17(22)21-16-14-12(6-9-24-14)19-15(20-16)13-4-2-3-7-18-13/h2-9H,1H3,(H,19,20,21,22).
What are the key properties of 2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide?
2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)furan-3-carboxamide is sourced from PubChem (CID 44528595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).