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

C29H38N6O — CID 130219727

IUPACN-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ncccc1C#N)CN2CC1CCC1
InChIInChI=1S/C29H38N6O/c1-33(2)29(25-11-4-3-5-12-25)15-13-28(14-16-29)21-34(22-35(28)19-23-8-6-9-23)20-26(36)32-27-24(18-30)10-7-17-31-27/h3-5,7,10-12,17,23H,6,8-9,13-16,19-22H2,1-2H3,(H,31,32,36)
InChIKeyZBAKSWNIVLVLJH-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.04
Rot. Bonds7

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

N-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 130219727) has the molecular formula C29H38N6O and a molecular weight of 486.66 g/mol. Its IUPAC name is N-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID130219727
Molecular FormulaC29H38N6O
Molecular Weight486.66 g/mol
Exact Mass486.31
IUPAC NameN-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ncccc1C#N)CN2CC1CCC1
InChIInChI=1S/C29H38N6O/c1-33(2)29(25-11-4-3-5-12-25)15-13-28(14-16-29)21-34(22-35(28)19-23-8-6-9-23)20-26(36)32-27-24(18-30)10-7-17-31-27/h3-5,7,10-12,17,23H,6,8-9,13-16,19-22H2,1-2H3,(H,31,32,36)
InChIKeyZBAKSWNIVLVLJH-UHFFFAOYSA-N
XLogP4.04
TPSA75.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxypyrimidin-4-yl)acetamide
CID 130219995
N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 130200474
N-(2-cyanoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 138533857
6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide
CID 130219745
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide
CID 130200776
1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
CID 157220490
5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile
CID 157213807
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 130200641
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 130200593
4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide
CID 140797750
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157453344
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 130219727) is N-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ncccc1C#N)CN2CC1CCC1.
What is the InChIKey of N-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is ZBAKSWNIVLVLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O/c1-33(2)29(25-11-4-3-5-12-25)15-13-28(14-16-29)21-34(22-35(28)19-23-8-6-9-23)20-26(36)32-27-24(18-30)10-7-17-31-27/h3-5,7,10-12,17,23H,6,8-9,13-16,19-22H2,1-2H3,(H,31,32,36).
What are the key properties of N-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 486.66 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-2-pyridinyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 130219727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).