2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C19H22N4O3 — CID 154566253

IUPAC2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCc1cc(C(=O)N2CCCC3(CCc4c3nc(C)[nH]c4=O)C2)cc(=O)[nH]1
InChIInChI=1S/C19H22N4O3/c1-11-8-13(9-15(24)20-11)18(26)23-7-3-5-19(10-23)6-4-14-16(19)21-12(2)22-17(14)25/h8-9H,3-7,10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyWWCZBDOENSTEOO-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.20
Rot. Bonds1

About 2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154566253) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154566253
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCc1cc(C(=O)N2CCCC3(CCc4c3nc(C)[nH]c4=O)C2)cc(=O)[nH]1
InChIInChI=1S/C19H22N4O3/c1-11-8-13(9-15(24)20-11)18(26)23-7-3-5-19(10-23)6-4-14-16(19)21-12(2)22-17(14)25/h8-9H,3-7,10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyWWCZBDOENSTEOO-UHFFFAOYSA-N
XLogP1.20
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154566253) is 2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is Cc1cc(C(=O)N2CCCC3(CCc4c3nc(C)[nH]c4=O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is WWCZBDOENSTEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11-8-13(9-15(24)20-11)18(26)23-7-3-5-19(10-23)6-4-14-16(19)21-12(2)22-17(14)25/h8-9H,3-7,10H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of 2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 354.41 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1'-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154566253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).