N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C16H26N6O2 — CID 118745384

IUPACN,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2cnn(C)c2)CC2(CNC(=O)C2)C1
InChIInChI=1S/C16H26N6O2/c1-19(2)15(24)22-5-4-21(9-13-7-18-20(3)8-13)11-16(12-22)6-14(23)17-10-16/h7-8H,4-6,9-12H2,1-3H3,(H,17,23)
InChIKeyKNYMOWBRKPJJGR-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.27
Rot. Bonds2

About N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 118745384) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID118745384
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2cnn(C)c2)CC2(CNC(=O)C2)C1
InChIInChI=1S/C16H26N6O2/c1-19(2)15(24)22-5-4-21(9-13-7-18-20(3)8-13)11-16(12-22)6-14(23)17-10-16/h7-8H,4-6,9-12H2,1-3H3,(H,17,23)
InChIKeyKNYMOWBRKPJJGR-UHFFFAOYSA-N
XLogP-0.27
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 118745384) is N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CN(C)C(=O)N1CCN(Cc2cnn(C)c2)CC2(CNC(=O)C2)C1.
What is the InChIKey of N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is KNYMOWBRKPJJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-19(2)15(24)22-5-4-21(9-13-7-18-20(3)8-13)11-16(12-22)6-14(23)17-10-16/h7-8H,4-6,9-12H2,1-3H3,(H,17,23).
What are the key properties of N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 334.42 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 118745384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).