1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine

C22H23N5O3S — CID 169003367

IUPAC1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine
SMILESCN1Cc2c(-c3ccc(CNS(N)(=O)=O)cc3)ccnc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H23N5O3S/c1-26-15-20-19(18-9-7-16(8-10-18)13-25-31(23,29)30)11-12-24-21(20)27(22(26)28)14-17-5-3-2-4-6-17/h2-12,25H,13-15H2,1H3,(H2,23,29,30)
InChIKeyUWJKVCLKHHXLNV-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.61
Rot. Bonds6

About 1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine

1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine (PubChem CID 169003367) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine
PubChem CID169003367
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine
SMILESCN1Cc2c(-c3ccc(CNS(N)(=O)=O)cc3)ccnc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H23N5O3S/c1-26-15-20-19(18-9-7-16(8-10-18)13-25-31(23,29)30)11-12-24-21(20)27(22(26)28)14-17-5-3-2-4-6-17/h2-12,25H,13-15H2,1H3,(H2,23,29,30)
InChIKeyUWJKVCLKHHXLNV-UHFFFAOYSA-N
XLogP2.61
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one
CID 169003488
3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine
CID 169003451
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
3-methyl-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(2-propan-2-yl-3-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 175612445
1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione
CID 141384491
(2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine
CID 124569518
N-benzyl-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide
CID 56882376
3-methyl-1-[[2-(methylamino)-4-pyridinyl]methyl]-4H-quinazolin-2-one
CID 82010317
N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1488551
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291
1-methyl-3-[(sulfamoylamino)methyl]benzene;2-phenylpyrimidine-5-carboxylic acid
CID 69163746
N-[(4-phenylphenyl)methyl]ethanesulfonamide
CID 110781116

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine (CID 169003367) is 1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine is CN1Cc2c(-c3ccc(CNS(N)(=O)=O)cc3)ccnc2N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine?
The InChIKey is UWJKVCLKHHXLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-26-15-20-19(18-9-7-16(8-10-18)13-25-31(23,29)30)11-12-24-21(20)27(22(26)28)14-17-5-3-2-4-6-17/h2-12,25H,13-15H2,1H3,(H2,23,29,30).
What are the key properties of 1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine?
1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine has a molecular weight of 437.53 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 169003367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).