2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide

C29H39N5O2 — CID 130200578

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)c1
InChIInChI=1S/C29H39N5O2/c1-22-12-17-30-25(18-22)31-26(35)20-33-21-28(34(27(33)36)19-23-8-7-9-23)13-15-29(16-14-28,32(2)3)24-10-5-4-6-11-24/h4-6,10-12,17-18,23H,7-9,13-16,19-21H2,1-3H3,(H,30,31,35)
InChIKeyQGLMOZYZJPKPIM-UHFFFAOYSA-N
MW489.66 g/mol
LogP4.64
Rot. Bonds7

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 130200578) has the molecular formula C29H39N5O2 and a molecular weight of 489.66 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID130200578
Molecular FormulaC29H39N5O2
Molecular Weight489.66 g/mol
Exact Mass489.31
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)c1
InChIInChI=1S/C29H39N5O2/c1-22-12-17-30-25(18-22)31-26(35)20-33-21-28(34(27(33)36)19-23-8-7-9-23)13-15-29(16-14-28,32(2)3)24-10-5-4-6-11-24/h4-6,10-12,17-18,23H,7-9,13-16,19-21H2,1-3H3,(H,30,31,35)
InChIKeyQGLMOZYZJPKPIM-UHFFFAOYSA-N
XLogP4.64
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 118174089
(2S)-1-[(2R)-2-amino-3,3-dicyclohexylpropanoyl]-N-[(6-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 9868633
1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 24686893
5-keto-1-(4-methylbenzyl)-N-(5-methyl-2-pyridyl)pyrrolidine-3-carboxamide
CID 24980408
N-(4-methylphenyl)-N'-2-pyridinylethanediamide
CID 2245812
N-(3-methylphenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 4797946
4-(3-Methyl-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 10268755
1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-pyrido[2,3-e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 10340882
N-(6-Amino-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 10548542
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenyl-propylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884304
1-(6-Amino-pyridin-3-yl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
CID 44356620
cis-4-(2-Oxo-pyrrolidin-1-yl)-cyclohexanecarboxylic acid [5-(3,5-difluoro-phenyl)-pyridin-2-yl]-amide
CID 46913408

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide (CID 130200578) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)c1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is QGLMOZYZJPKPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O2/c1-22-12-17-30-25(18-22)31-26(35)20-33-21-28(34(27(33)36)19-23-8-7-9-23)13-15-29(16-14-28,32(2)3)24-10-5-4-6-11-24/h4-6,10-12,17-18,23H,7-9,13-16,19-21H2,1-3H3,(H,30,31,35).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 489.66 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 130200578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).