1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide

C21H23N5O5S — CID 55919694

IUPAC1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3ccccc3S(=O)(=O)N3CCCCC3)nc2n(C)c1=O
InChIInChI=1S/C21H23N5O5S/c1-24-18-14(20(28)25(2)21(24)29)10-11-16(22-18)19(27)23-15-8-4-5-9-17(15)32(30,31)26-12-6-3-7-13-26/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H,23,27)
InChIKeySBXCSNAOLAMLIY-UHFFFAOYSA-N
MW457.51 g/mol
LogP1.06
Rot. Bonds4

About 1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 55919694) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID55919694
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3ccccc3S(=O)(=O)N3CCCCC3)nc2n(C)c1=O
InChIInChI=1S/C21H23N5O5S/c1-24-18-14(20(28)25(2)21(24)29)10-11-16(22-18)19(27)23-15-8-4-5-9-17(15)32(30,31)26-12-6-3-7-13-26/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H,23,27)
InChIKeySBXCSNAOLAMLIY-UHFFFAOYSA-N
XLogP1.06
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30839985
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39300001
4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919824
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 47029857
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 55919558
1-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)triazole-4-carboxamide
CID 60549527
5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide
CID 55817626
1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37399249
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
2-methyl-6-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 52662748
2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817625

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide (CID 55919694) is 1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)Nc3ccccc3S(=O)(=O)N3CCCCC3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is SBXCSNAOLAMLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S/c1-24-18-14(20(28)25(2)21(24)29)10-11-16(22-18)19(27)23-15-8-4-5-9-17(15)32(30,31)26-12-6-3-7-13-26/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H,23,27).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 55919694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).