N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C16H23N5O2 — CID 131657857

IUPACN-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCNC(=O)N1CCN(Cc2cccnc2)CC2(CNC(=O)C2)C1
InChIInChI=1S/C16H23N5O2/c1-17-15(23)21-6-5-20(9-13-3-2-4-18-8-13)11-16(12-21)7-14(22)19-10-16/h2-4,8H,5-7,9-12H2,1H3,(H,17,23)(H,19,22)
InChIKeyZUQBXFUOQAGXQY-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.04
Rot. Bonds2

About N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 131657857) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID131657857
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCNC(=O)N1CCN(Cc2cccnc2)CC2(CNC(=O)C2)C1
InChIInChI=1S/C16H23N5O2/c1-17-15(23)21-6-5-20(9-13-3-2-4-18-8-13)11-16(12-21)7-14(22)19-10-16/h2-4,8H,5-7,9-12H2,1H3,(H,17,23)(H,19,22)
InChIKeyZUQBXFUOQAGXQY-UHFFFAOYSA-N
XLogP0.04
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide with MolForge

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Related Compounds

(5S)-3-oxo-N-propan-2-yl-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360036
(5S)-7-acetyl-2-ethyl-10-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360175
(5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97398896
N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392794
[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 97392828
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
(5S)-7-N-[(3-methoxyphenyl)methyl]-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97438931
N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 134070752
(5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97438924
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 131657857) is N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CNC(=O)N1CCN(Cc2cccnc2)CC2(CNC(=O)C2)C1.
What is the InChIKey of N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is ZUQBXFUOQAGXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-17-15(23)21-6-5-20(9-13-3-2-4-18-8-13)11-16(12-21)7-14(22)19-10-16/h2-4,8H,5-7,9-12H2,1H3,(H,17,23)(H,19,22).
What are the key properties of N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 131657857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).