7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C20H26N4O3 — CID 95834540

IUPAC7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc([C@@H]3CCCCN3C(=O)C3CCCC3)nc2n(C)c1=O
InChIInChI=1S/C20H26N4O3/c1-22-17-14(19(26)23(2)20(22)27)10-11-15(21-17)16-9-5-6-12-24(16)18(25)13-7-3-4-8-13/h10-11,13,16H,3-9,12H2,1-2H3/t16-/m0/s1
InChIKeyFIZDIHYNVQGPRP-INIZCTEOSA-N
MW370.45 g/mol
LogP1.88
Rot. Bonds2

About 7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 95834540) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID95834540
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc([C@@H]3CCCCN3C(=O)C3CCCC3)nc2n(C)c1=O
InChIInChI=1S/C20H26N4O3/c1-22-17-14(19(26)23(2)20(22)27)10-11-15(21-17)16-9-5-6-12-24(16)18(25)13-7-3-4-8-13/h10-11,13,16H,3-9,12H2,1-2H3/t16-/m0/s1
InChIKeyFIZDIHYNVQGPRP-INIZCTEOSA-N
XLogP1.88
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 95834540) is 7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc([C@@H]3CCCCN3C(=O)C3CCCC3)nc2n(C)c1=O.
What is the InChIKey of 7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FIZDIHYNVQGPRP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-22-17-14(19(26)23(2)20(22)27)10-11-15(21-17)16-9-5-6-12-24(16)18(25)13-7-3-4-8-13/h10-11,13,16H,3-9,12H2,1-2H3/t16-/m0/s1.
What are the key properties of 7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 95834540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).