N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide

C17H18N4O3S — CID 122145354

IUPACN-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCn1cnc2cnccc2c1=O)Cc1ccccc1
InChIInChI=1S/C17H18N4O3S/c1-25(23,24)21(12-14-5-3-2-4-6-14)10-9-20-13-19-16-11-18-8-7-15(16)17(20)22/h2-8,11,13H,9-10,12H2,1H3
InChIKeyGFRZHKHTOWOAJP-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.25
Rot. Bonds6

About N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide

N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide (PubChem CID 122145354) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide
PubChem CID122145354
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCn1cnc2cnccc2c1=O)Cc1ccccc1
InChIInChI=1S/C17H18N4O3S/c1-25(23,24)21(12-14-5-3-2-4-6-14)10-9-20-13-19-16-11-18-8-7-15(16)17(20)22/h2-8,11,13H,9-10,12H2,1H3
InChIKeyGFRZHKHTOWOAJP-UHFFFAOYSA-N
XLogP1.25
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethylsulfanylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 122150073
3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 45212891
3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
CID 91650448
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 99841378
N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide
CID 122150068
N-benzyl-N-[2-(2-oxo-1,3,4-thiadiazol-3-yl)ethyl]methanesulfonamide
CID 99825117
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
CID 110670077
3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275735
3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 39746170
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275742

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide (CID 122145354) is N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide is CS(=O)(=O)N(CCn1cnc2cnccc2c1=O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide?
The InChIKey is GFRZHKHTOWOAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-25(23,24)21(12-14-5-3-2-4-6-14)10-9-20-13-19-16-11-18-8-7-15(16)17(20)22/h2-8,11,13H,9-10,12H2,1H3.
What are the key properties of N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide?
N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 122145354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).