N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide

C20H25N5O4S — CID 42786778

IUPACN-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(C)nc(N4CCOCC4)c3C2)cc1
InChIInChI=1S/C20H25N5O4S/c1-14-21-19-7-8-25(13-18(19)20(22-14)24-9-11-29-12-10-24)30(27,28)17-5-3-16(4-6-17)23-15(2)26/h3-6H,7-13H2,1-2H3,(H,23,26)
InChIKeyYWJVJIKDUOCSGS-UHFFFAOYSA-N
MW431.52 g/mol
LogP1.33
Rot. Bonds4

About N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide

N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide (PubChem CID 42786778) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide
PubChem CID42786778
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC NameN-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(C)nc(N4CCOCC4)c3C2)cc1
InChIInChI=1S/C20H25N5O4S/c1-14-21-19-7-8-25(13-18(19)20(22-14)24-9-11-29-12-10-24)30(27,28)17-5-3-16(4-6-17)23-15(2)26/h3-6H,7-13H2,1-2H3,(H,23,26)
InChIKeyYWJVJIKDUOCSGS-UHFFFAOYSA-N
XLogP1.33
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-methyl-6-(4-nitrophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42786779
N-[4-[[2-[(3-methoxyphenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]phenyl]acetamide
CID 5067947
3-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]benzonitrile
CID 5260719
N-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46268042
6-(4-bromophenyl)sulfonyl-2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 4620600
4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42786772
4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42787909
N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
CID 108780450
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171
N-[4-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 35757472
(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(4-phenylphenyl)methanone
CID 7361589
4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 46126462

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide (CID 42786778) is N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(C)nc(N4CCOCC4)c3C2)cc1.
What is the InChIKey of N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide?
The InChIKey is YWJVJIKDUOCSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-14-21-19-7-8-25(13-18(19)20(22-14)24-9-11-29-12-10-24)30(27,28)17-5-3-16(4-6-17)23-15(2)26/h3-6H,7-13H2,1-2H3,(H,23,26).
What are the key properties of N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide?
N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide has a molecular weight of 431.52 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]phenyl]acetamide is sourced from PubChem (CID 42786778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).