6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide

C25H22F3N5O — CID 142333773

IUPAC6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)C1=CCNc2ccc(-c3cncc(N4CCCC4)c3)cc21
InChIInChI=1S/C25H22F3N5O/c26-25(27,28)23-6-4-18(14-31-23)32-24(34)20-7-8-30-22-5-3-16(12-21(20)22)17-11-19(15-29-13-17)33-9-1-2-10-33/h3-7,11-15,30H,1-2,8-10H2,(H,32,34)
InChIKeyMHBZVDDBNJTOEZ-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.21
Rot. Bonds4

About 6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide

6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide (PubChem CID 142333773) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is 6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
PubChem CID142333773
Molecular FormulaC25H22F3N5O
Molecular Weight465.48 g/mol
Exact Mass465.18
IUPAC Name6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)C1=CCNc2ccc(-c3cncc(N4CCCC4)c3)cc21
InChIInChI=1S/C25H22F3N5O/c26-25(27,28)23-6-4-18(14-31-23)32-24(34)20-7-8-30-22-5-3-16(12-21(20)22)17-11-19(15-29-13-17)33-9-1-2-10-33/h3-7,11-15,30H,1-2,8-10H2,(H,32,34)
InChIKeyMHBZVDDBNJTOEZ-UHFFFAOYSA-N
XLogP5.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide 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

6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
CID 144929257
N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-6-pyridin-3-yl-1,2-dihydroquinoline-4-carboxamide
CID 166774274
3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide
CID 123997935
6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1,2-dihydroquinoline-4-carboxamide
CID 142333897
3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
CID 144929005
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450857
N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane
CID 144555192
N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450370
5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450840
N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 115778116
ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 144555272
N-[6-(methanesulfonamido)-3-pyridinyl]-7-(5-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide
CID 144555507

Frequently Asked Questions

What is the IUPAC name of 6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?
The IUPAC name of 6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide (CID 142333773) is 6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide.
What is the SMILES notation for 6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?
The canonical SMILES for 6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)C1=CCNc2ccc(-c3cncc(N4CCCC4)c3)cc21.
What is the InChIKey of 6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?
The InChIKey is MHBZVDDBNJTOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O/c26-25(27,28)23-6-4-18(14-31-23)32-24(34)20-7-8-30-22-5-3-16(12-21(20)22)17-11-19(15-29-13-17)33-9-1-2-10-33/h3-7,11-15,30H,1-2,8-10H2,(H,32,34).
What are the key properties of 6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide?
6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide has a molecular weight of 465.48 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 142333773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).