(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate

C20H24N4O5S — CID 55463077

IUPAC(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)n3c(C)cccc3n2)n(C)c1
InChIInChI=1S/C20H24N4O5S/c1-5-23(6-2)30(27,28)16-11-17(22(4)12-16)20(26)29-13-15-10-19(25)24-14(3)8-7-9-18(24)21-15/h7-12H,5-6,13H2,1-4H3
InChIKeyNLNFTAJMNMHDKP-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.73
Rot. Bonds7

About (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate (PubChem CID 55463077) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
PubChem CID55463077
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)n3c(C)cccc3n2)n(C)c1
InChIInChI=1S/C20H24N4O5S/c1-5-23(6-2)30(27,28)16-11-17(22(4)12-16)20(26)29-13-15-10-19(25)24-14(3)8-7-9-18(24)21-15/h7-12H,5-6,13H2,1-4H3
InChIKeyNLNFTAJMNMHDKP-UHFFFAOYSA-N
XLogP1.73
TPSA102.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 55463601
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356727
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate
CID 8836522
[2-(difluoromethoxy)phenyl]methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 46544901
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562397
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466411
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 42986285
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648581
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 55497181
(7-methoxy-2-oxochromen-4-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 27938028
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-4,5-dimethoxybenzoate
CID 55356459
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 46805264

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate (CID 55463077) is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate is CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)n3c(C)cccc3n2)n(C)c1.
What is the InChIKey of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The InChIKey is NLNFTAJMNMHDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-5-23(6-2)30(27,28)16-11-17(22(4)12-16)20(26)29-13-15-10-19(25)24-14(3)8-7-9-18(24)21-15/h7-12H,5-6,13H2,1-4H3.
What are the key properties of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate?
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate has a molecular weight of 432.50 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 55463077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).