N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C23H29F6N3O6 — CID 155855697

IUPACN-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(NC[C@H]1CCC[C@]2(CCN(C3CCC3)C2)O1)c1cccnc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N3O2.2C2HF3O2/c23-18(15-4-3-10-20-12-15)21-13-17-7-2-8-19(24-17)9-11-22(14-19)16-5-1-6-16;2*3-2(4,5)1(6)7/h3-4,10,12,16-17H,1-2,5-9,11,13-14H2,(H,21,23);2*(H,6,7)/t17-,19-;;/m1../s1
InChIKeyCBDZFSAAYKCBAS-WGMYLSDTSA-N
MW557.49 g/mol
LogP3.64
Rot. Bonds4

About N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155855697) has the molecular formula C23H29F6N3O6 and a molecular weight of 557.49 g/mol. Its IUPAC name is N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID155855697
Molecular FormulaC23H29F6N3O6
Molecular Weight557.49 g/mol
Exact Mass557.20
IUPAC NameN-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(NC[C@H]1CCC[C@]2(CCN(C3CCC3)C2)O1)c1cccnc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N3O2.2C2HF3O2/c23-18(15-4-3-10-20-12-15)21-13-17-7-2-8-19(24-17)9-11-22(14-19)16-5-1-6-16;2*3-2(4,5)1(6)7/h3-4,10,12,16-17H,1-2,5-9,11,13-14H2,(H,21,23);2*(H,6,7)/t17-,19-;;/m1../s1
InChIKeyCBDZFSAAYKCBAS-WGMYLSDTSA-N
XLogP3.64
TPSA129.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.49
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(5S,7R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide
CID 124803680
N-[[(5R,7R)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155852719
N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155833747
N-[[(5S,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816768
N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97476595
N-[[(5R,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155837511
N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 124781029
N-[[(5R,7S)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 155861602
N-[[(5R,7S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155847855
N-[[(5R,7R)-2-(cyclopropylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 97476193
N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide
CID 97474788
N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanesulfonamide
CID 97476591

Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155855697) is N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is O=C(NC[C@H]1CCC[C@]2(CCN(C3CCC3)C2)O1)c1cccnc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is CBDZFSAAYKCBAS-WGMYLSDTSA-N. The full InChI is InChI=1S/C19H27N3O2.2C2HF3O2/c23-18(15-4-3-10-20-12-15)21-13-17-7-2-8-19(24-17)9-11-22(14-19)16-5-1-6-16;2*3-2(4,5)1(6)7/h3-4,10,12,16-17H,1-2,5-9,11,13-14H2,(H,21,23);2*(H,6,7)/t17-,19-;;/m1../s1.
What are the key properties of N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 557.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155855697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).