methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate

C30H39N5O4 — CID 130200645

IUPACmethyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1
InChIInChI=1S/C30H39N5O4/c1-33(2)30(23-11-5-4-6-12-23)17-15-29(16-18-30)21-34(28(38)35(29)19-22-9-7-10-22)20-26(36)32-25-14-8-13-24(31-25)27(37)39-3/h4-6,8,11-14,22H,7,9-10,15-21H2,1-3H3,(H,31,32,36)
InChIKeyCVYZPGHUPVYWSN-UHFFFAOYSA-N
MW533.67 g/mol
LogP4.11
Rot. Bonds8

About methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate

methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate (PubChem CID 130200645) has the molecular formula C30H39N5O4 and a molecular weight of 533.67 g/mol. Its IUPAC name is methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate
PubChem CID130200645
Molecular FormulaC30H39N5O4
Molecular Weight533.67 g/mol
Exact Mass533.30
IUPAC Namemethyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1
InChIInChI=1S/C30H39N5O4/c1-33(2)30(23-11-5-4-6-12-23)17-15-29(16-18-30)21-34(28(38)35(29)19-22-9-7-10-22)20-26(36)32-25-14-8-13-24(31-25)27(37)39-3/h4-6,8,11-14,22H,7,9-10,15-21H2,1-3H3,(H,31,32,36)
InChIKeyCVYZPGHUPVYWSN-UHFFFAOYSA-N
XLogP4.11
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.67
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate (CID 130200645) is methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate is COC(=O)c1cccc(NC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1.
What is the InChIKey of methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate?
The InChIKey is CVYZPGHUPVYWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O4/c1-33(2)30(23-11-5-4-6-12-23)17-15-29(16-18-30)21-34(28(38)35(29)19-22-9-7-10-22)20-26(36)32-25-14-8-13-24(31-25)27(37)39-3/h4-6,8,11-14,22H,7,9-10,15-21H2,1-3H3,(H,31,32,36).
What are the key properties of methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate?
methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate has a molecular weight of 533.67 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 130200645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).