2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide

C22H29N5O2 — CID 154568097

IUPAC2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCCC2(CCc3c2nc(C(C)(C)C)[nH]c3=O)C1
InChIInChI=1S/C22H29N5O2/c1-21(2,3)20-25-16-14(19(29)26-20)8-10-22(16)9-6-12-27(13-22)17-15(18(28)23-4)7-5-11-24-17/h5,7,11H,6,8-10,12-13H2,1-4H3,(H,23,28)(H,25,26,29)
InChIKeyVNUMLINPHRFHFO-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.31
Rot. Bonds2

About 2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide

2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide (PubChem CID 154568097) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide
PubChem CID154568097
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCCC2(CCc3c2nc(C(C)(C)C)[nH]c3=O)C1
InChIInChI=1S/C22H29N5O2/c1-21(2,3)20-25-16-14(19(29)26-20)8-10-22(16)9-6-12-27(13-22)17-15(18(28)23-4)7-5-11-24-17/h5,7,11H,6,8-10,12-13H2,1-4H3,(H,23,28)(H,25,26,29)
InChIKeyVNUMLINPHRFHFO-UHFFFAOYSA-N
XLogP2.31
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-1'-(pyridine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817716
2-tert-butyl-1'-(cyclobutanecarbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154821548
2-tert-butyl-1'-cyclopentylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817021
N-butyl-2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
CID 154822634
2-tert-butyl-1'-[2-(cyclopropylamino)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565744
2-tert-butyl-1'-(4-pyrazol-1-ylbutanoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565807
2-tert-butyl-1'-(2-cyclohexylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154816551
2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-carbonyl)benzonitrile
CID 155505007
2-tert-butyl-1'-[2-(2-oxopiperidin-1-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154568232
2-tert-butyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564858
2-tert-butyl-1'-(5-propyl-1H-pyrazole-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154567235
4-(methylcarbamoyl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-7-carboxylic acid
CID 134520748

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide (CID 154568097) is 2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCCC2(CCc3c2nc(C(C)(C)C)[nH]c3=O)C1.
What is the InChIKey of 2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is VNUMLINPHRFHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-21(2,3)20-25-16-14(19(29)26-20)8-10-22(16)9-6-12-27(13-22)17-15(18(28)23-4)7-5-11-24-17/h5,7,11H,6,8-10,12-13H2,1-4H3,(H,23,28)(H,25,26,29).
What are the key properties of 2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide?
2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 154568097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).