5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

C111H136N22O7 — CID 160712196

About 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (PubChem CID 160712196) has the molecular formula C111H136N22O7 and a molecular weight of 1890.46 g/mol. Its IUPAC name is 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
• PubChem CID: 160712196
• Molecular Formula: C111H136N22O7
• Molecular Weight: 1890.46 g/mol
• Exact Mass: 1889.10
• IUPAC Name: 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
• SMILES: CCCCC(=O)CN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1ccccc1)(N(C)C)CC2.CCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1OC)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)nc1)C(=O)N2CC1(C#N)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C#N)c1)C(=O)N2CC1(O)CCC1
• InChI: InChI=1S/C28H36N6O2.C28H32N6O.C28H34N4O2.C27H34N6O2/c1-4-32(2)28(22-11-6-5-7-12-22)15-13-27(14-16-28)20-33(26(35)34(27)19-21-9-8-10-21)23-18-30-24(17-29)31-25(23)36-3;1-32(2)28(22-7-4-3-5-8-22)15-13-27(14-16-28)21-33(24-10-9-23(17-29)31-18-24)25(35)34(27)20-26(19-30)11-6-12-26;1-30(2)28(23-9-4-3-5-10-23)16-14-26(15-17-28)20-31(24-11-6-8-22(18-24)19-29)25(33)32(26)21-27(34)12-7-13-27;1-4-5-11-23(34)19-33-25(35)32(22-17-29-24(16-28)30-18-22)20-26(33)12-14-27(15-13-26,31(2)3)21-9-7-6-8-10-21/h5-7,11-12,18,21H,4,8-10,13-16,19-20H2,1-3H3;3-5,7-10,18H,6,11-16,20-21H2,1-2H3;3-6,8-11,18,34H,7,12-17,20-21H2,1-2H3;6-10,17-18H,4-5,11-15,19-20H2,1-3H3
• InChIKey: RRZVJDCCTAEYOF-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 337.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1890.46
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The IUPAC name of 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (CID 160712196) is 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.

What is the SMILES notation for 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The canonical SMILES for 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is CCCCC(=O)CN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1ccccc1)(N(C)C)CC2.CCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1OC)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)nc1)C(=O)N2CC1(C#N)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc(C#N)c1)C(=O)N2CC1(O)CCC1.

What is the InChIKey of 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The InChIKey is RRZVJDCCTAEYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2.C28H32N6O.C28H34N4O2.C27H34N6O2/c1-4-32(2)28(22-11-6-5-7-12-22)15-13-27(14-16-28)20-33(26(35)34(27)19-21-9-8-10-21)23-18-30-24(17-29)31-25(23)36-3;1-32(2)28(22-7-4-3-5-8-22)15-13-27(14-16-28)21-33(24-10-9-23(17-29)31-18-24)25(35)34(27)20-26(19-30)11-6-12-26;1-30(2)28(23-9-4-3-5-10-23)16-14-26(15-17-28)20-31(24-11-6-8-22(18-24)19-29)25(33)32(26)21-27(34)12-7-13-27;1-4-5-11-23(34)19-33-25(35)32(22-17-29-24(16-28)30-18-22)20-26(33)12-14-27(15-13-26,31(2)3)21-9-7-6-8-10-21/h5-7,11-12,18,21H,4,8-10,13-16,19-20H2,1-3H3;3-5,7-10,18H,6,11-16,20-21H2,1-2H3;3-6,8-11,18,34H,7,12-17,20-21H2,1-2H3;6-10,17-18H,4-5,11-15,19-20H2,1-3H3.

What are the key properties of 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile has a molecular weight of 1890.46 g/mol, XLogP of 17.82, 25 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carbonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile;3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[8-(dimethylamino)-2-oxo-1-(2-oxohexyl)-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 160712196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).