N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide

C27H26N4O3 — CID 24954333

IUPACN-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccccn1)c1ccccc1
InChIInChI=1S/C27H26N4O3/c32-23(19-29-25(33)20-9-3-1-4-10-20)30-17-14-27(15-18-30)24(22-13-7-8-16-28-22)31(26(27)34)21-11-5-2-6-12-21/h1-13,16,24H,14-15,17-19H2,(H,29,33)
InChIKeyLJENJHMSHYZUPG-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.21
Rot. Bonds5

About N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide

N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide (PubChem CID 24954333) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide
PubChem CID24954333
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccccn1)c1ccccc1
InChIInChI=1S/C27H26N4O3/c32-23(19-29-25(33)20-9-3-1-4-10-20)30-17-14-27(15-18-30)24(22-13-7-8-16-28-22)31(26(27)34)21-11-5-2-6-12-21/h1-13,16,24H,14-15,17-19H2,(H,29,33)
InChIKeyLJENJHMSHYZUPG-UHFFFAOYSA-N
XLogP3.21
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
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N-[2-oxo-2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide (CID 24954333) is N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide is O=C(NCC(=O)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccccn1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide?
The InChIKey is LJENJHMSHYZUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c32-23(19-29-25(33)20-9-3-1-4-10-20)30-17-14-27(15-18-30)24(22-13-7-8-16-28-22)31(26(27)34)21-11-5-2-6-12-21/h1-13,16,24H,14-15,17-19H2,(H,29,33).
What are the key properties of N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide?
N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide has a molecular weight of 454.53 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide is sourced from PubChem (CID 24954333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).