N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid

C19H27F3N4O4 — CID 155856822

IUPACN-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)N1CCCC2(CC(Nc3cccnc3)CO2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2.C2HF3O2/c1-13(2)19-16(22)21-8-4-6-17(12-21)9-15(11-23-17)20-14-5-3-7-18-10-14;3-2(4,5)1(6)7/h3,5,7,10,13,15,20H,4,6,8-9,11-12H2,1-2H3,(H,19,22);(H,6,7)
InChIKeyRLWTZMNDHQHCPO-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.87
Rot. Bonds3

About N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid

N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155856822) has the molecular formula C19H27F3N4O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155856822
Molecular FormulaC19H27F3N4O4
Molecular Weight432.44 g/mol
Exact Mass432.20
IUPAC NameN-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)N1CCCC2(CC(Nc3cccnc3)CO2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2.C2HF3O2/c1-13(2)19-16(22)21-8-4-6-17(12-21)9-15(11-23-17)20-14-5-3-7-18-10-14;3-2(4,5)1(6)7/h3,5,7,10,13,15,20H,4,6,8-9,11-12H2,1-2H3,(H,19,22);(H,6,7)
InChIKeyRLWTZMNDHQHCPO-UHFFFAOYSA-N
XLogP2.87
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;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

(1-methylpyrrol-2-yl)-[3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155856649
pyridin-3-yl-[(3S,5S)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394513
pyridin-3-yl-[(3S,5R)-3-(pyridin-3-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394514
N,N-dimethyl-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid
CID 155840866
N-(3-fluoro-2-pyridinyl)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 171696681
[3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155857322
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97489467
3-[(6-methylpyridazin-3-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 134074869
7-(pyridin-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 171689944
9-ethylsulfonyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155869467
1-[3-[(4-methylpiperazin-1-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-pyridin-3-ylpropan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155856122
[(3S,5R)-3-(3-fluoroanilino)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-4-ylmethanone
CID 97489170

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid (CID 155856822) is N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid is CC(C)NC(=O)N1CCCC2(CC(Nc3cccnc3)CO2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RLWTZMNDHQHCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.C2HF3O2/c1-13(2)19-16(22)21-8-4-6-17(12-21)9-15(11-23-17)20-14-5-3-7-18-10-14;3-2(4,5)1(6)7/h3,5,7,10,13,15,20H,4,6,8-9,11-12H2,1-2H3,(H,19,22);(H,6,7).
What are the key properties of N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid?
N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 432.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(pyridin-3-ylamino)-1-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155856822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).