2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide

C26H33N5O3 — CID 123303739

IUPAC2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccccc2)C(C)C)ccn1
InChIInChI=1S/C26H33N5O3/c1-18(2)22(28-23(32)20-10-13-27-19(3)16-20)24(33)30-14-11-26(12-15-30)25(34)29(4)17-31(26)21-8-6-5-7-9-21/h5-10,13,16,18,22H,11-12,14-15,17H2,1-4H3,(H,28,32)
InChIKeyOODKHHDCOOFVEO-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.44
Rot. Bonds5

About 2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide

2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide (PubChem CID 123303739) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide
PubChem CID123303739
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccccc2)C(C)C)ccn1
InChIInChI=1S/C26H33N5O3/c1-18(2)22(28-23(32)20-10-13-27-19(3)16-20)24(33)30-14-11-26(12-15-30)25(34)29(4)17-31(26)21-8-6-5-7-9-21/h5-10,13,16,18,22H,11-12,14-15,17H2,1-4H3,(H,28,32)
InChIKeyOODKHHDCOOFVEO-UHFFFAOYSA-N
XLogP2.44
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide (CID 123303739) is 2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide is Cc1cc(C(=O)NC(C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccccc2)C(C)C)ccn1.
What is the InChIKey of 2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide?
The InChIKey is OODKHHDCOOFVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-18(2)22(28-23(32)20-10-13-27-19(3)16-20)24(33)30-14-11-26(12-15-30)25(34)29(4)17-31(26)21-8-6-5-7-9-21/h5-10,13,16,18,22H,11-12,14-15,17H2,1-4H3,(H,28,32).
What are the key properties of 2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide?
2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 123303739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).