2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C24H25F3N4O3 — CID 156830388

IUPAC2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCO[C@H]1COCC[C@@H]1N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(C)cc2c1
InChIInChI=1S/C24H25F3N4O3/c1-14-9-16-10-15(3-6-19(16)30-22(14)28)23(32)31(20-7-8-34-13-21(20)33-2)12-18-5-4-17(11-29-18)24(25,26)27/h3-6,9-11,20-21H,7-8,12-13H2,1-2H3,(H2,28,30)/t20-,21-/m0/s1
InChIKeyRKGVKNIKBKMESS-SFTDATJTSA-N
MW474.48 g/mol
LogP3.99
Rot. Bonds5

About 2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830388) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
PubChem CID156830388
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCO[C@H]1COCC[C@@H]1N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(C)cc2c1
InChIInChI=1S/C24H25F3N4O3/c1-14-9-16-10-15(3-6-19(16)30-22(14)28)23(32)31(20-7-8-34-13-21(20)33-2)12-18-5-4-17(11-29-18)24(25,26)27/h3-6,9-11,20-21H,7-8,12-13H2,1-2H3,(H2,28,30)/t20-,21-/m0/s1
InChIKeyRKGVKNIKBKMESS-SFTDATJTSA-N
XLogP3.99
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830388) is 2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is CO[C@H]1COCC[C@@H]1N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(C)cc2c1.
What is the InChIKey of 2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The InChIKey is RKGVKNIKBKMESS-SFTDATJTSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-14-9-16-10-15(3-6-19(16)30-22(14)28)23(32)31(20-7-8-34-13-21(20)33-2)12-18-5-4-17(11-29-18)24(25,26)27/h3-6,9-11,20-21H,7-8,12-13H2,1-2H3,(H2,28,30)/t20-,21-/m0/s1.
What are the key properties of 2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R,4S)-3-methoxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).