3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide

C29H39N5O3 — CID 130201200

IUPAC3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)Nc1cccnc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C29H39N5O3/c1-32(2)29(23-8-4-3-5-9-23)16-14-27(15-17-29)21-33(26(36)34(27)22-28(37)12-7-13-28)19-11-25(35)31-24-10-6-18-30-20-24/h3-6,8-10,18,20,37H,7,11-17,19,21-22H2,1-2H3,(H,31,35)
InChIKeyLDOXJVHORXFSID-UHFFFAOYSA-N
MW505.66 g/mol
LogP3.83
Rot. Bonds8

About 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide

3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide (PubChem CID 130201200) has the molecular formula C29H39N5O3 and a molecular weight of 505.66 g/mol. Its IUPAC name is 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide
PubChem CID130201200
Molecular FormulaC29H39N5O3
Molecular Weight505.66 g/mol
Exact Mass505.31
IUPAC Name3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)Nc1cccnc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C29H39N5O3/c1-32(2)29(23-8-4-3-5-9-23)16-14-27(15-17-29)21-33(26(36)34(27)22-28(37)12-7-13-28)19-11-25(35)31-24-10-6-18-30-20-24/h3-6,8-10,18,20,37H,7,11-17,19,21-22H2,1-2H3,(H,31,35)
InChIKeyLDOXJVHORXFSID-UHFFFAOYSA-N
XLogP3.83
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.66
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide (CID 130201200) is 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC(=O)Nc1cccnc1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is LDOXJVHORXFSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O3/c1-32(2)29(23-8-4-3-5-9-23)16-14-27(15-17-29)21-33(26(36)34(27)22-28(37)12-7-13-28)19-11-25(35)31-24-10-6-18-30-20-24/h3-6,8-10,18,20,37H,7,11-17,19,21-22H2,1-2H3,(H,31,35).
What are the key properties of 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide?
3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide has a molecular weight of 505.66 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 130201200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).