1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione

C18H25N5O4S — CID 110264791

IUPAC1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C3CCCCN3S(=O)(=O)N3CCCC3)nc2n(C)c1=O
InChIInChI=1S/C18H25N5O4S/c1-20-16-13(17(24)21(2)18(20)25)8-9-14(19-16)15-7-3-4-12-23(15)28(26,27)22-10-5-6-11-22/h8-9,15H,3-7,10-12H2,1-2H3
InChIKeyPEIOBRQVTUPOEI-UHFFFAOYSA-N
MW407.50 g/mol
LogP0.50
Rot. Bonds3

About 1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 110264791) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID110264791
Molecular FormulaC18H25N5O4S
Molecular Weight407.50 g/mol
Exact Mass407.16
IUPAC Name1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C3CCCCN3S(=O)(=O)N3CCCC3)nc2n(C)c1=O
InChIInChI=1S/C18H25N5O4S/c1-20-16-13(17(24)21(2)18(20)25)8-9-14(19-16)15-7-3-4-12-23(15)28(26,27)22-10-5-6-11-22/h8-9,15H,3-7,10-12H2,1-2H3
InChIKeyPEIOBRQVTUPOEI-UHFFFAOYSA-N
XLogP0.50
TPSA97.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 110264791) is 1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc(C3CCCCN3S(=O)(=O)N3CCCC3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PEIOBRQVTUPOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S/c1-20-16-13(17(24)21(2)18(20)25)8-9-14(19-16)15-7-3-4-12-23(15)28(26,27)22-10-5-6-11-22/h8-9,15H,3-7,10-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 407.50 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 110264791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).