tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate

C21H25N5O5S — CID 169003419

IUPACtert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)Nc1cccc(-c2ccnc3c2CN(C2CC2)C(=O)N3)c1
InChIInChI=1S/C21H25N5O5S/c1-21(2,3)31-20(28)25-32(29,30)24-14-6-4-5-13(11-14)16-9-10-22-18-17(16)12-26(15-7-8-15)19(27)23-18/h4-6,9-11,15,24H,7-8,12H2,1-3H3,(H,25,28)(H,22,23,27)
InChIKeySANJWCKGQOBLSP-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.44
Rot. Bonds5

About tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate

tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate (PubChem CID 169003419) has the molecular formula C21H25N5O5S and a molecular weight of 459.53 g/mol. Its IUPAC name is tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate
PubChem CID169003419
Molecular FormulaC21H25N5O5S
Molecular Weight459.53 g/mol
Exact Mass459.16
IUPAC Nametert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)Nc1cccc(-c2ccnc3c2CN(C2CC2)C(=O)N3)c1
InChIInChI=1S/C21H25N5O5S/c1-21(2,3)31-20(28)25-32(29,30)24-14-6-4-5-13(11-14)16-9-10-22-18-17(16)12-26(15-7-8-15)19(27)23-18/h4-6,9-11,15,24H,7-8,12H2,1-3H3,(H,25,28)(H,22,23,27)
InChIKeySANJWCKGQOBLSP-UHFFFAOYSA-N
XLogP3.44
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate 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
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CID 164563751
tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate
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tert-butyl N-[[1-(3-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-5-yl)piperidin-4-yl]sulfamoyl]carbamate
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tert-butyl N-[[3-[(6,7-dimethoxy-3-methyl-4-oxophthalazin-1-yl)methyl]phenyl]sulfamoyl]carbamate
CID 157040166
tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate
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CID 53419021
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
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N-[3-[3-(5-fluoro-2-methylbenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanesulfonamide
CID 67570948
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate (CID 169003419) is tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate is CC(C)(C)OC(=O)NS(=O)(=O)Nc1cccc(-c2ccnc3c2CN(C2CC2)C(=O)N3)c1.
What is the InChIKey of tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate?
The InChIKey is SANJWCKGQOBLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5S/c1-21(2,3)31-20(28)25-32(29,30)24-14-6-4-5-13(11-14)16-9-10-22-18-17(16)12-26(15-7-8-15)19(27)23-18/h4-6,9-11,15,24H,7-8,12H2,1-3H3,(H,25,28)(H,22,23,27).
What are the key properties of tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate?
tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate has a molecular weight of 459.53 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate is sourced from PubChem (CID 169003419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).