3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine

C16H19N5O4S — CID 169003451

IUPAC3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine
SMILESNS(=O)(=O)NCc1cccc(-c2ccnc3c2CN(CCO)C(=O)N3)c1
InChIInChI=1S/C16H19N5O4S/c17-26(24,25)19-9-11-2-1-3-12(8-11)13-4-5-18-15-14(13)10-21(6-7-22)16(23)20-15/h1-5,8,19,22H,6-7,9-10H2,(H2,17,24,25)(H,18,20,23)
InChIKeyGAUISIGTDPAOBT-UHFFFAOYSA-N
MW377.43 g/mol
LogP0.38
Rot. Bonds6

About 3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine

3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine (PubChem CID 169003451) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine
PubChem CID169003451
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Name3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine
SMILESNS(=O)(=O)NCc1cccc(-c2ccnc3c2CN(CCO)C(=O)N3)c1
InChIInChI=1S/C16H19N5O4S/c17-26(24,25)19-9-11-2-1-3-12(8-11)13-4-5-18-15-14(13)10-21(6-7-22)16(23)20-15/h1-5,8,19,22H,6-7,9-10H2,(H2,17,24,25)(H,18,20,23)
InChIKeyGAUISIGTDPAOBT-UHFFFAOYSA-N
XLogP0.38
TPSA137.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine with MolForge

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Related Compounds

tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate
CID 169003461
5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride
CID 169003420
[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methylamino] thiohypoiodite
CID 167153013
1-benzyl-3-methyl-2-oxo-5-[4-[(sulfamoylamino)methyl]phenyl]-4H-pyrido[2,3-d]pyrimidine
CID 169003367
tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
CID 164563751
tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate
CID 169003419
1-methyl-3-[(sulfamoylamino)methyl]benzene;2-phenylpyrimidine-5-carboxylic acid
CID 69163746
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
1-iodo-3-[(sulfamoylamino)methyl]benzene
CID 20823765
N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
CID 114959565
1-(4-hydroxybut-1-ynyl)-3-[(sulfamoylamino)methyl]benzene
CID 114959491
tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate
CID 164563691

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine?
The IUPAC name of 3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine (CID 169003451) is 3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine is NS(=O)(=O)NCc1cccc(-c2ccnc3c2CN(CCO)C(=O)N3)c1.
What is the InChIKey of 3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine?
The InChIKey is GAUISIGTDPAOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S/c17-26(24,25)19-9-11-2-1-3-12(8-11)13-4-5-18-15-14(13)10-21(6-7-22)16(23)20-15/h1-5,8,19,22H,6-7,9-10H2,(H2,17,24,25)(H,18,20,23).
What are the key properties of 3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine?
3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine has a molecular weight of 377.43 g/mol, XLogP of 0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 169003451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).