N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide

C23H21FN4O3 — CID 11640362

IUPACN-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide
SMILESCCOc1ccccc1C(=O)N1CCc2nc(NC(=O)c3cccc(F)c3)ncc2C1
InChIInChI=1S/C23H21FN4O3/c1-2-31-20-9-4-3-8-18(20)22(30)28-11-10-19-16(14-28)13-25-23(26-19)27-21(29)15-6-5-7-17(24)12-15/h3-9,12-13H,2,10-11,14H2,1H3,(H,25,26,27,29)
InChIKeyYIKWYSZZAVYZCY-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.47
Rot. Bonds5

About N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide

N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide (PubChem CID 11640362) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide
PubChem CID11640362
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC NameN-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide
SMILESCCOc1ccccc1C(=O)N1CCc2nc(NC(=O)c3cccc(F)c3)ncc2C1
InChIInChI=1S/C23H21FN4O3/c1-2-31-20-9-4-3-8-18(20)22(30)28-11-10-19-16(14-28)13-25-23(26-19)27-21(29)15-6-5-7-17(24)12-15/h3-9,12-13H,2,10-11,14H2,1H3,(H,25,26,27,29)
InChIKeyYIKWYSZZAVYZCY-UHFFFAOYSA-N
XLogP3.47
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

p-(18F)MPPF
CID 5352127
4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
1-[4-[4-Amino-5-(2-ethoxybenzoyl)pyrimidin-2-ylamino]piperidin-1-yl]ethanone
CID 11975205
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 68649048
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 81
CID 44520954
Pyrimidine-4-carboxamide, 74
CID 44520963
Pyrimidine-4-carboxamide, 82
CID 44520967

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide (CID 11640362) is N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide is CCOc1ccccc1C(=O)N1CCc2nc(NC(=O)c3cccc(F)c3)ncc2C1.
What is the InChIKey of N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide?
The InChIKey is YIKWYSZZAVYZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-2-31-20-9-4-3-8-18(20)22(30)28-11-10-19-16(14-28)13-25-23(26-19)27-21(29)15-6-5-7-17(24)12-15/h3-9,12-13H,2,10-11,14H2,1H3,(H,25,26,27,29).
What are the key properties of N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide?
N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide has a molecular weight of 420.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 11640362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).