6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

C18H22N4O3 — CID 56818048

IUPAC6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCCC3C3CCCC3)cnc21
InChIInChI=1S/C18H22N4O3/c1-21-15-13(16(23)20-18(21)25)9-12(10-19-15)17(24)22-8-4-7-14(22)11-5-2-3-6-11/h9-11,14H,2-8H2,1H3,(H,20,23,25)
InChIKeyRGNMQWRGXJKKQC-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.42
Rot. Bonds2

About 6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 56818048) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID56818048
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCCC3C3CCCC3)cnc21
InChIInChI=1S/C18H22N4O3/c1-21-15-13(16(23)20-18(21)25)9-12(10-19-15)17(24)22-8-4-7-14(22)11-5-2-3-6-11/h9-11,14H,2-8H2,1H3,(H,20,23,25)
InChIKeyRGNMQWRGXJKKQC-UHFFFAOYSA-N
XLogP1.42
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 56818048) is 6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCCC3C3CCCC3)cnc21.
What is the InChIKey of 6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RGNMQWRGXJKKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21-15-13(16(23)20-18(21)25)9-12(10-19-15)17(24)22-8-4-7-14(22)11-5-2-3-6-11/h9-11,14H,2-8H2,1H3,(H,20,23,25).
What are the key properties of 6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56818048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).