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

C18H30N6O2 — CID 118743810

IUPAC2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1CC2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C18H30N6O2/c1-5-23-13-18(8-16(23)25)12-22(11-15-9-19-21(4)10-15)6-7-24(14-18)17(26)20(2)3/h9-10H,5-8,11-14H2,1-4H3
InChIKeyORLQVALKQDXOOD-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.46
Rot. Bonds3

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

2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (PubChem CID 118743810) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound Name2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
PubChem CID118743810
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1CC2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C18H30N6O2/c1-5-23-13-18(8-16(23)25)12-22(11-15-9-19-21(4)10-15)6-7-24(14-18)17(26)20(2)3/h9-10H,5-8,11-14H2,1-4H3
InChIKeyORLQVALKQDXOOD-UHFFFAOYSA-N
XLogP0.46
TPSA64.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (CID 118743810) is 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is CCN1CC2(CC1=O)CN(Cc1cnn(C)c1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The InChIKey is ORLQVALKQDXOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-5-23-13-18(8-16(23)25)12-22(11-15-9-19-21(4)10-15)6-7-24(14-18)17(26)20(2)3/h9-10H,5-8,11-14H2,1-4H3.
What are the key properties of 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethyl-10-[(1-methylpyrazol-4-yl)methyl]-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 118743810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).