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

C29H40N6O3 — CID 130219745

IUPAC6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1cccc(C(N)=O)n1)C(O)N2CC1CCC1
InChIInChI=1S/C29H40N6O3/c1-33(2)29(22-10-4-3-5-11-22)16-14-28(15-17-29)20-34(27(38)35(28)18-21-8-6-9-21)19-25(36)32-24-13-7-12-23(31-24)26(30)37/h3-5,7,10-13,21,27,38H,6,8-9,14-20H2,1-2H3,(H2,30,37)(H,31,32,36)
InChIKeyMGCDHTIANUFEBJ-UHFFFAOYSA-N
MW520.68 g/mol
LogP2.58
Rot. Bonds8

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

6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide (PubChem CID 130219745) has the molecular formula C29H40N6O3 and a molecular weight of 520.68 g/mol. Its IUPAC name is 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide
PubChem CID130219745
Molecular FormulaC29H40N6O3
Molecular Weight520.68 g/mol
Exact Mass520.32
IUPAC Name6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1cccc(C(N)=O)n1)C(O)N2CC1CCC1
InChIInChI=1S/C29H40N6O3/c1-33(2)29(22-10-4-3-5-11-22)16-14-28(15-17-29)20-34(27(38)35(28)18-21-8-6-9-21)19-25(36)32-24-13-7-12-23(31-24)26(30)37/h3-5,7,10-13,21,27,38H,6,8-9,14-20H2,1-2H3,(H2,30,37)(H,31,32,36)
InChIKeyMGCDHTIANUFEBJ-UHFFFAOYSA-N
XLogP2.58
TPSA115.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.68
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of 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) is 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1cccc(C(N)=O)n1)C(O)N2CC1CCC1.
What is the InChIKey of 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide?
The InChIKey is MGCDHTIANUFEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6O3/c1-33(2)29(22-10-4-3-5-11-22)16-14-28(15-17-29)20-34(27(38)35(28)18-21-8-6-9-21)19-25(36)32-24-13-7-12-23(31-24)26(30)37/h3-5,7,10-13,21,27,38H,6,8-9,14-20H2,1-2H3,(H2,30,37)(H,31,32,36).
What are the key properties of 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide?
6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide has a molecular weight of 520.68 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 130219745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).