2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)

C23H31F6N5O6 — CID 155833183

IUPAC2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCN1CC2(CC1=O)CN(Cc1ccccn1)CCN(C(=O)N(C)C)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H29N5O2.2C2HF3O2/c1-4-23-14-19(11-17(23)25)13-22(12-16-7-5-6-8-20-16)9-10-24(15-19)18(26)21(2)3;2*3-2(4,5)1(6)7/h5-8H,4,9-15H2,1-3H3;2*(H,6,7)
InChIKeySNIANRYQRFDYHF-UHFFFAOYSA-N
MW587.52 g/mol
LogP2.39
Rot. Bonds3

About 2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)

2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155833183) has the molecular formula C23H31F6N5O6 and a molecular weight of 587.52 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID155833183
Molecular FormulaC23H31F6N5O6
Molecular Weight587.52 g/mol
Exact Mass587.22
IUPAC Name2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCN1CC2(CC1=O)CN(Cc1ccccn1)CCN(C(=O)N(C)C)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H29N5O2.2C2HF3O2/c1-4-23-14-19(11-17(23)25)13-22(12-16-7-5-6-8-20-16)9-10-24(15-19)18(26)21(2)3;2*3-2(4,5)1(6)7/h5-8H,4,9-15H2,1-3H3;2*(H,6,7)
InChIKeySNIANRYQRFDYHF-UHFFFAOYSA-N
XLogP2.39
TPSA134.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.52
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155829955
2-methyl-3-oxo-N-propan-2-yl-7-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 118746301
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 171696146
2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131654839
2-ethyl-7-(2-methylpropanoyl)-10-[(5-methylthiophen-2-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155841072
2-(2-methylpropyl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155834844
2-(pyridin-2-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171673288
4,9-bis(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171693125
1-methyl-4-(2-methylpropyl)-9-(pyridin-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 171689835
2,8-bis(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 171693389
(5S)-7-acetyl-2-ethyl-10-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360175
1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
CID 22648051

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155833183) is 2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid) is CCN1CC2(CC1=O)CN(Cc1ccccn1)CCN(C(=O)N(C)C)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SNIANRYQRFDYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2.2C2HF3O2/c1-4-23-14-19(11-17(23)25)13-22(12-16-7-5-6-8-20-16)9-10-24(15-19)18(26)21(2)3;2*3-2(4,5)1(6)7/h5-8H,4,9-15H2,1-3H3;2*(H,6,7).
What are the key properties of 2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)?
2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 587.52 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155833183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).