2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one

C19H26N4O3 — CID 131650256

IUPAC2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cccnc2)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C19H26N4O3/c1-14(2)17(25)22-7-8-23(18(26)15-5-4-6-20-10-15)13-19(12-22)9-16(24)21(3)11-19/h4-6,10,14H,7-9,11-13H2,1-3H3
InChIKeyPKZMMOKLOOVBNP-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.87
Rot. Bonds2

About 2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one

2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one (PubChem CID 131650256) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
PubChem CID131650256
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cccnc2)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C19H26N4O3/c1-14(2)17(25)22-7-8-23(18(26)15-5-4-6-20-10-15)13-19(12-22)9-16(24)21(3)11-19/h4-6,10,14H,7-9,11-13H2,1-3H3
InChIKeyPKZMMOKLOOVBNP-UHFFFAOYSA-N
XLogP0.87
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131639415
7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070067
(5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360222
2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070068
(5S)-2-methyl-10-(2-methylpropanoyl)-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360085
(5R)-7-(3-methoxybenzoyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97439009
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
ethane;2-methyl-1-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 163264781
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
2-[1-oxo-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 108533130
(5R)-2-methyl-3-oxo-N-propan-2-yl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360137
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110

Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The IUPAC name of 2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one (CID 131650256) is 2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The canonical SMILES for 2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one is CC(C)C(=O)N1CCN(C(=O)c2cccnc2)CC2(CC(=O)N(C)C2)C1.
What is the InChIKey of 2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The InChIKey is PKZMMOKLOOVBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(2)17(25)22-7-8-23(18(26)15-5-4-6-20-10-15)13-19(12-22)9-16(24)21(3)11-19/h4-6,10,14H,7-9,11-13H2,1-3H3.
What are the key properties of 2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one has a molecular weight of 358.44 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 131650256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).