2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide

C21H26N6O2 — CID 155912435

IUPAC2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide
SMILESCC(=O)N1CCCC2(CCc3c(N(C)CC(N)=O)nc(-c4cccnc4)nc32)C1
InChIInChI=1S/C21H26N6O2/c1-14(28)27-10-4-7-21(13-27)8-6-16-18(21)24-19(15-5-3-9-23-11-15)25-20(16)26(2)12-17(22)29/h3,5,9,11H,4,6-8,10,12-13H2,1-2H3,(H2,22,29)
InChIKeyCSWRHFOZZFRDHX-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.29
Rot. Bonds4

About 2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide

2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide (PubChem CID 155912435) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide
PubChem CID155912435
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide
SMILESCC(=O)N1CCCC2(CCc3c(N(C)CC(N)=O)nc(-c4cccnc4)nc32)C1
InChIInChI=1S/C21H26N6O2/c1-14(28)27-10-4-7-21(13-27)8-6-16-18(21)24-19(15-5-3-9-23-11-15)25-20(16)26(2)12-17(22)29/h3,5,9,11H,4,6-8,10,12-13H2,1-2H3,(H2,22,29)
InChIKeyCSWRHFOZZFRDHX-UHFFFAOYSA-N
XLogP1.29
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one
CID 155913178
1-[4-[(3-methyloxetan-3-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 155912828
1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 156584249
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
1'-(1-aminocyclopentanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564282
2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide
CID 155910925
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'-(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
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'-(6-aminopyridine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565415
1'-[2-(methylamino)pyrimidine-5-carbonyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565855

Frequently Asked Questions

What is the IUPAC name of 2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide?
The IUPAC name of 2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide (CID 155912435) is 2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide.
What is the SMILES notation for 2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide?
The canonical SMILES for 2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide is CC(=O)N1CCCC2(CCc3c(N(C)CC(N)=O)nc(-c4cccnc4)nc32)C1.
What is the InChIKey of 2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide?
The InChIKey is CSWRHFOZZFRDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14(28)27-10-4-7-21(13-27)8-6-16-18(21)24-19(15-5-3-9-23-11-15)25-20(16)26(2)12-17(22)29/h3,5,9,11H,4,6-8,10,12-13H2,1-2H3,(H2,22,29).
What are the key properties of 2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide?
2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide has a molecular weight of 394.48 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide is sourced from PubChem (CID 155912435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).