N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide

C20H23N5O3 — CID 154566009

IUPACN-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC2(CCc3c2nc(-c2cccnc2)[nH]c3=O)C1
InChIInChI=1S/C20H23N5O3/c1-13(26)22-11-16(27)25-9-3-6-20(12-25)7-5-15-17(20)23-18(24-19(15)28)14-4-2-8-21-10-14/h2,4,8,10H,3,5-7,9,11-12H2,1H3,(H,22,26)(H,23,24,28)
InChIKeyNQFGIDQLLWPQAA-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.77
Rot. Bonds3

About N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide

N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide (PubChem CID 154566009) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide
PubChem CID154566009
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC2(CCc3c2nc(-c2cccnc2)[nH]c3=O)C1
InChIInChI=1S/C20H23N5O3/c1-13(26)22-11-16(27)25-9-3-6-20(12-25)7-5-15-17(20)23-18(24-19(15)28)14-4-2-8-21-10-14/h2,4,8,10H,3,5-7,9,11-12H2,1H3,(H,22,26)(H,23,24,28)
InChIKeyNQFGIDQLLWPQAA-UHFFFAOYSA-N
XLogP0.77
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(1-aminocyclopentanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564282
1'-[2-(methylamino)pyrimidine-5-carbonyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565855
1'-(cyclohexanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570554
1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564584
1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154568745
1'-(1H-imidazole-5-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155499288
1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564869
1'-(6-aminopyridine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565415
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565296
1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155492991
3-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)benzonitrile
CID 155507593
2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154816421

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide (CID 154566009) is N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide is CC(=O)NCC(=O)N1CCCC2(CCc3c2nc(-c2cccnc2)[nH]c3=O)C1.
What is the InChIKey of N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide?
The InChIKey is NQFGIDQLLWPQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13(26)22-11-16(27)25-9-3-6-20(12-25)7-5-15-17(20)23-18(24-19(15)28)14-4-2-8-21-10-14/h2,4,8,10H,3,5-7,9,11-12H2,1H3,(H,22,26)(H,23,24,28).
What are the key properties of N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide?
N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide is sourced from PubChem (CID 154566009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).