N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

C24H26F3N5O4 — CID 171557468

IUPACN-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CNC(=O)c3cnc4ccccc4c3)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C19H22N2O4.C5H4F3N3/c1-19(2)24-15-7-8-23-16(17(15)25-19)11-21-18(22)13-9-12-5-3-4-6-14(12)20-10-13;6-5(7,8)3-1-10-2-4(9)11-3/h3-6,9-10,15-17H,7-8,11H2,1-2H3,(H,21,22);1-2H,(H2,9,11)
InChIKeyFRLHMSDBSJGZOL-UHFFFAOYSA-N
MW505.50 g/mol
LogP3.35
Rot. Bonds3

About N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171557468) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171557468
Molecular FormulaC24H26F3N5O4
Molecular Weight505.50 g/mol
Exact Mass505.19
IUPAC NameN-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1(C)OC2CCOC(CNC(=O)c3cnc4ccccc4c3)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C19H22N2O4.C5H4F3N3/c1-19(2)24-15-7-8-23-16(17(15)25-19)11-21-18(22)13-9-12-5-3-4-6-14(12)20-10-13;6-5(7,8)3-1-10-2-4(9)11-3/h3-6,9-10,15-17H,7-8,11H2,1-2H3,(H,21,22);1-2H,(H2,9,11)
InChIKeyFRLHMSDBSJGZOL-UHFFFAOYSA-N
XLogP3.35
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine with MolForge

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Related Compounds

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 67509956
[5-Carbamoyl-3-fluoro-6-(quinolin-3-ylamino)-2-pyridinyl]-[3-(dimethylamino)oxan-4-yl]-dimethylazanium
CID 123834257
5-Fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 129192461
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 142581374
2-amino-N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830296
2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane
CID 156830311
2-amino-N-[(1S)-3-amino-1-(oxan-4-yl)-3-oxopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830387
2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830388
2-amino-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830495
2-amino-N-[(1R)-3-amino-1-(oxan-4-yl)-3-oxopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830865
2-amino-N-[(3R,4R)-4-methoxyoxan-3-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830918
2-amino-N-[(3S,4S)-4-methoxyoxan-3-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156831050

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (CID 171557468) is N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is CC1(C)OC2CCOC(CNC(=O)c3cnc4ccccc4c3)C2O1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is FRLHMSDBSJGZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.C5H4F3N3/c1-19(2)24-15-7-8-23-16(17(15)25-19)11-21-18(22)13-9-12-5-3-4-6-14(12)20-10-13;6-5(7,8)3-1-10-2-4(9)11-3/h3-6,9-10,15-17H,7-8,11H2,1-2H3,(H,21,22);1-2H,(H2,9,11).
What are the key properties of N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 505.50 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinoline-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171557468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).