2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide

C24H32N4O — CID 56914848

IUPAC2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(CN2CCCC3(CCN(c4ncccc4C(N)=O)C3)C2)cc1
InChIInChI=1S/C24H32N4O/c1-18(2)20-8-6-19(7-9-20)15-27-13-4-10-24(16-27)11-14-28(17-24)23-21(22(25)29)5-3-12-26-23/h3,5-9,12,18H,4,10-11,13-17H2,1-2H3,(H2,25,29)
InChIKeyFBWKCWZXLPQMKA-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.80
Rot. Bonds5

About 2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide

2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide (PubChem CID 56914848) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
PubChem CID56914848
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(CN2CCCC3(CCN(c4ncccc4C(N)=O)C3)C2)cc1
InChIInChI=1S/C24H32N4O/c1-18(2)20-8-6-19(7-9-20)15-27-13-4-10-24(16-27)11-14-28(17-24)23-21(22(25)29)5-3-12-26-23/h3,5-9,12,18H,4,10-11,13-17H2,1-2H3,(H2,25,29)
InChIKeyFBWKCWZXLPQMKA-UHFFFAOYSA-N
XLogP3.80
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide (CID 56914848) is 2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide is CC(C)c1ccc(CN2CCCC3(CCN(c4ncccc4C(N)=O)C3)C2)cc1.
What is the InChIKey of 2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide?
The InChIKey is FBWKCWZXLPQMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-18(2)20-8-6-19(7-9-20)15-27-13-4-10-24(16-27)11-14-28(17-24)23-21(22(25)29)5-3-12-26-23/h3,5-9,12,18H,4,10-11,13-17H2,1-2H3,(H2,25,29).
What are the key properties of 2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide?
2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 56914848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).