1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C21H23N5O6S — CID 30823832

IUPAC1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2n(C)c1=O
InChIInChI=1S/C21H23N5O6S/c1-24-18-16(20(28)25(2)21(24)29)7-8-17(23-18)19(27)22-13-14-3-5-15(6-4-14)33(30,31)26-9-11-32-12-10-26/h3-8H,9-13H2,1-2H3,(H,22,27)
InChIKeyNGLZBPNPJYTRJG-UHFFFAOYSA-N
MW473.51 g/mol
LogP-0.42
Rot. Bonds5

About 1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 30823832) has the molecular formula C21H23N5O6S and a molecular weight of 473.51 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID30823832
Molecular FormulaC21H23N5O6S
Molecular Weight473.51 g/mol
Exact Mass473.14
IUPAC Name1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2n(C)c1=O
InChIInChI=1S/C21H23N5O6S/c1-24-18-16(20(28)25(2)21(24)29)7-8-17(23-18)19(27)22-13-14-3-5-15(6-4-14)33(30,31)26-9-11-32-12-10-26/h3-8H,9-13H2,1-2H3,(H,22,27)
InChIKeyNGLZBPNPJYTRJG-UHFFFAOYSA-N
XLogP-0.42
TPSA132.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
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CID 26662569
2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119690150
1-(4-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 55635456
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
1,3-dimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 154735884
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 30823832) is 1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is NGLZBPNPJYTRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O6S/c1-24-18-16(20(28)25(2)21(24)29)7-8-17(23-18)19(27)22-13-14-3-5-15(6-4-14)33(30,31)26-9-11-32-12-10-26/h3-8H,9-13H2,1-2H3,(H,22,27).
What are the key properties of 1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 473.51 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 30823832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).