5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C19H14N4O2S — CID 28889045

IUPAC5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccnc3)[nH]c(=O)c12
InChIInChI=1S/C19H14N4O2S/c1-11-14-17(24)22-16(12-6-5-9-20-10-12)23-19(14)26-15(11)18(25)21-13-7-3-2-4-8-13/h2-10H,1H3,(H,21,25)(H,22,23,24)
InChIKeyIZAAOGSDRIFBTI-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.61
Rot. Bonds3

About 5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 28889045) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID28889045
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccnc3)[nH]c(=O)c12
InChIInChI=1S/C19H14N4O2S/c1-11-14-17(24)22-16(12-6-5-9-20-10-12)23-19(14)26-15(11)18(25)21-13-7-3-2-4-8-13/h2-10H,1H3,(H,21,25)(H,22,23,24)
InChIKeyIZAAOGSDRIFBTI-UHFFFAOYSA-N
XLogP3.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylethyl 5-methyl-4-oxo-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 28889110
2-benzyl-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 27166756
N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28868202
cyclohexyl 5-methyl-4-oxo-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 28889106
2-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28888388
benzyl 5-methyl-4-oxo-2-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 28868209
N,5-dimethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 17464782
N-(2-methoxyphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28867954
N-(2-methoxyphenyl)-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28888917
N-(6-oxo-2-phenyl-4-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 136815026
6-isocyano-5-methyl-2-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 58727424
5-(4-bromophenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889070

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 28889045) is 5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccnc3)[nH]c(=O)c12.
What is the InChIKey of 5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IZAAOGSDRIFBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c1-11-14-17(24)22-16(12-6-5-9-20-10-12)23-19(14)26-15(11)18(25)21-13-7-3-2-4-8-13/h2-10H,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 28889045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).