2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C20H25N5O2 — CID 154816421

IUPAC2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCN(C)c1nc2c(c(=O)[nH]1)CCC21CCCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C20H25N5O2/c1-24(2)19-22-17-15(18(27)23-19)6-8-20(17)7-4-10-25(13-20)16(26)11-14-5-3-9-21-12-14/h3,5,9,12H,4,6-8,10-11,13H2,1-2H3,(H,22,23,27)
InChIKeyACFNNGYBDHXVCE-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.28
Rot. Bonds3

About 2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154816421) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154816421
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCN(C)c1nc2c(c(=O)[nH]1)CCC21CCCN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C20H25N5O2/c1-24(2)19-22-17-15(18(27)23-19)6-8-20(17)7-4-10-25(13-20)16(26)11-14-5-3-9-21-12-14/h3,5,9,12H,4,6-8,10-11,13H2,1-2H3,(H,22,23,27)
InChIKeyACFNNGYBDHXVCE-UHFFFAOYSA-N
XLogP1.28
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154818706
1'-(1,3-benzodioxole-5-carbonyl)-2-(dimethylamino)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155913680
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
2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570784
1'-(cyclohexanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570554
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
(5R)-N,N-dimethyl-9-(2-pyridin-3-ylacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97370537
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'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564584
2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154819228
1'-(1H-imidazole-5-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155499288

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154816421) is 2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is CN(C)c1nc2c(c(=O)[nH]1)CCC21CCCN(C(=O)Cc2cccnc2)C1.
What is the InChIKey of 2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is ACFNNGYBDHXVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-24(2)19-22-17-15(18(27)23-19)6-8-20(17)7-4-10-25(13-20)16(26)11-14-5-3-9-21-12-14/h3,5,9,12H,4,6-8,10-11,13H2,1-2H3,(H,22,23,27).
What are the key properties of 2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 367.45 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154816421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).