N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide

C24H27N5O4 — CID 55903583

IUPACN-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccc(NC(=O)c3ccncc3)c1)C2=O
InChIInChI=1S/C24H27N5O4/c1-16-5-9-24(10-6-16)22(32)29(23(33)28-24)15-20(30)26-14-17-3-2-4-19(13-17)27-21(31)18-7-11-25-12-8-18/h2-4,7-8,11-13,16H,5-6,9-10,14-15H2,1H3,(H,26,30)(H,27,31)(H,28,33)
InChIKeyWUVDBWVBYZTENV-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.45
Rot. Bonds6

About N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55903583) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID55903583
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccc(NC(=O)c3ccncc3)c1)C2=O
InChIInChI=1S/C24H27N5O4/c1-16-5-9-24(10-6-16)22(32)29(23(33)28-24)15-20(30)26-14-17-3-2-4-19(13-17)27-21(31)18-7-11-25-12-8-18/h2-4,7-8,11-13,16H,5-6,9-10,14-15H2,1H3,(H,26,30)(H,27,31)(H,28,33)
InChIKeyWUVDBWVBYZTENV-UHFFFAOYSA-N
XLogP2.45
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55953112
N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 55510760
N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4804356
N-[4-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]benzamide
CID 7630356
N-[[4-(methoxymethyl)phenyl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55614965
1-[2-oxo-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]ethyl]cyclobutane-1-carboxylic acid
CID 120549546
N-(2,6-dimethylphenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 7240740
N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3899374
N-(pyridin-4-ylmethyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40713787
N-(4-fluorophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 2578408
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55671880
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 55903583) is N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide is CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccc(NC(=O)c3ccncc3)c1)C2=O.
What is the InChIKey of N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is WUVDBWVBYZTENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-16-5-9-24(10-6-16)22(32)29(23(33)28-24)15-20(30)26-14-17-3-2-4-19(13-17)27-21(31)18-7-11-25-12-8-18/h2-4,7-8,11-13,16H,5-6,9-10,14-15H2,1H3,(H,26,30)(H,27,31)(H,28,33).
What are the key properties of N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55903583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).