(2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione

C18H23N5O3 — CID 92572053

IUPAC(2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione
SMILESO=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Nc2ncccc21
InChIInChI=1S/C18H23N5O3/c24-14-5-6-18(20-16-13(17(26)21-18)4-3-8-19-16)7-11-23(14)12-15(25)22-9-1-2-10-22/h3-4,8H,1-2,5-7,9-12H2,(H,19,20)(H,21,26)/t18-/m1/s1
InChIKeyZPDHMZNNJONSPE-GOSISDBHSA-N
MW357.41 g/mol
LogP0.57
Rot. Bonds2

About (2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione

(2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione (PubChem CID 92572053) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione.

Molecular Properties

Compound Name(2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione
PubChem CID92572053
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione
SMILESO=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Nc2ncccc21
InChIInChI=1S/C18H23N5O3/c24-14-5-6-18(20-16-13(17(26)21-18)4-3-8-19-16)7-11-23(14)12-15(25)22-9-1-2-10-22/h3-4,8H,1-2,5-7,9-12H2,(H,19,20)(H,21,26)/t18-/m1/s1
InChIKeyZPDHMZNNJONSPE-GOSISDBHSA-N
XLogP0.57
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione?
The IUPAC name of (2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione (CID 92572053) is (2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione.
What is the SMILES notation for (2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione?
The canonical SMILES for (2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione is O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCCC3)CC2)Nc2ncccc21.
What is the InChIKey of (2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione?
The InChIKey is ZPDHMZNNJONSPE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-14-5-6-18(20-16-13(17(26)21-18)4-3-8-19-16)7-11-23(14)12-15(25)22-9-1-2-10-22/h3-4,8H,1-2,5-7,9-12H2,(H,19,20)(H,21,26)/t18-/m1/s1.
What are the key properties of (2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione?
(2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione has a molecular weight of 357.41 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,3-dihydropyrido[2,3-d]pyrimidine-2,5'-azepane]-2',4-dione is sourced from PubChem (CID 92572053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).