(5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C16H21N5O3 — CID 97398896

IUPAC(5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCNC(=O)N1CCN(C(=O)c2ccccn2)C[C@]2(CNC(=O)C2)C1
InChIInChI=1S/C16H21N5O3/c1-17-15(24)21-7-6-20(14(23)12-4-2-3-5-18-12)10-16(11-21)8-13(22)19-9-16/h2-5H,6-11H2,1H3,(H,17,24)(H,19,22)/t16-/m0/s1
InChIKeyZHKTYGVRZBPUFY-INIZCTEOSA-N
MW331.38 g/mol
LogP-0.31
Rot. Bonds1

About (5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

(5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 97398896) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name(5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID97398896
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCNC(=O)N1CCN(C(=O)c2ccccn2)C[C@]2(CNC(=O)C2)C1
InChIInChI=1S/C16H21N5O3/c1-17-15(24)21-7-6-20(14(23)12-4-2-3-5-18-12)10-16(11-21)8-13(22)19-9-16/h2-5H,6-11H2,1H3,(H,17,24)(H,19,22)/t16-/m0/s1
InChIKeyZHKTYGVRZBPUFY-INIZCTEOSA-N
XLogP-0.31
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide with MolForge

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Related Compounds

N-methyl-3-oxo-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 127368537
N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 131657857
2,6-diazaspiro[3.3]heptan-2-yl(pyridin-2-yl)methanone
CID 166159425
(5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97438924
7-(pyridine-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131653472
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705
(5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97374147
(5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360042
2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
CID 127305942
(5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438905
2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde
CID 144817196
5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110814055

Frequently Asked Questions

What is the IUPAC name of (5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of (5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 97398896) is (5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for (5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for (5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CNC(=O)N1CCN(C(=O)c2ccccn2)C[C@]2(CNC(=O)C2)C1.
What is the InChIKey of (5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is ZHKTYGVRZBPUFY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-17-15(24)21-7-6-20(14(23)12-4-2-3-5-18-12)10-16(11-21)8-13(22)19-9-16/h2-5H,6-11H2,1H3,(H,17,24)(H,19,22)/t16-/m0/s1.
What are the key properties of (5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
(5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 331.38 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 97398896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).