N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide

C21H17N3O3S — CID 22580503

IUPACN-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide
SMILESCc1ccc2nc(COc3cccc(NC(=O)c4cccs4)c3)cc(=O)n2c1
InChIInChI=1S/C21H17N3O3S/c1-14-7-8-19-22-16(11-20(25)24(19)12-14)13-27-17-5-2-4-15(10-17)23-21(26)18-6-3-9-28-18/h2-12H,13H2,1H3,(H,23,26)
InChIKeyIIPRADWYXLAEOW-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.90
Rot. Bonds5

About N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide

N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide (PubChem CID 22580503) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide
PubChem CID22580503
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide
SMILESCc1ccc2nc(COc3cccc(NC(=O)c4cccs4)c3)cc(=O)n2c1
InChIInChI=1S/C21H17N3O3S/c1-14-7-8-19-22-16(11-20(25)24(19)12-14)13-27-17-5-2-4-15(10-17)23-21(26)18-6-3-9-28-18/h2-12H,13H2,1H3,(H,23,26)
InChIKeyIIPRADWYXLAEOW-UHFFFAOYSA-N
XLogP3.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 50802572
1-(3,5-dimethylphenyl)-3-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356601
4-ethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356590
3,4-dimethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356587
1-(3,4-dimethoxyphenyl)-3-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356603
1-(2,3-dimethylphenyl)-3-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356598
N-[3-[(5-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]thiophene-2-carboxamide
CID 20874393
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 78723328
ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 56726823
N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 46356819
N-[3-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl]thiophene-2-carboxamide
CID 20874361
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate
CID 7537217

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide (CID 22580503) is N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide is Cc1ccc2nc(COc3cccc(NC(=O)c4cccs4)c3)cc(=O)n2c1.
What is the InChIKey of N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide?
The InChIKey is IIPRADWYXLAEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-14-7-8-19-22-16(11-20(25)24(19)12-14)13-27-17-5-2-4-15(10-17)23-21(26)18-6-3-9-28-18/h2-12H,13H2,1H3,(H,23,26).
What are the key properties of N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide?
N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 22580503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).