1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one

C17H12N4O2S — CID 91664430

IUPAC1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2ccc(-c3cccs3)cc2)c2cccnc2n1O
InChIInChI=1S/C17H12N4O2S/c22-17-20-15(13-3-1-9-18-16(13)21(17)23)19-12-7-5-11(6-8-12)14-4-2-10-24-14/h1-10,23H,(H,19,20,22)
InChIKeyCEQSPLIPDPOKFM-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.50
Rot. Bonds3

About 1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one

1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 91664430) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one
PubChem CID91664430
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2ccc(-c3cccs3)cc2)c2cccnc2n1O
InChIInChI=1S/C17H12N4O2S/c22-17-20-15(13-3-1-9-18-16(13)21(17)23)19-12-7-5-11(6-8-12)14-4-2-10-24-14/h1-10,23H,(H,19,20,22)
InChIKeyCEQSPLIPDPOKFM-UHFFFAOYSA-N
XLogP3.50
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 91664428
4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079085
1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide
CID 53257879
1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154366196
4-[3-[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]-N-methylbenzamide
CID 53258699
1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one
CID 67252249
4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079084
1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154344900
1-hydroxy-4-[(3-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
CID 67251968
4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 67253188
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(4-thiophen-2-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 176914829

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one (CID 91664430) is 1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one is O=c1nc(Nc2ccc(-c3cccs3)cc2)c2cccnc2n1O.
What is the InChIKey of 1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is CEQSPLIPDPOKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c22-17-20-15(13-3-1-9-18-16(13)21(17)23)19-12-7-5-11(6-8-12)14-4-2-10-24-14/h1-10,23H,(H,19,20,22).
What are the key properties of 1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one?
1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 336.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 91664430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).