N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide

C27H31F3N4O2 — CID 175526169

IUPACN-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCOc1ccc2cc(CC(CNC(=O)CC(c3cccnc3)C3(C(F)(F)F)CC3)N(C)C)ccc2n1
InChIInChI=1S/C27H31F3N4O2/c1-34(2)21(14-18-6-8-23-19(13-18)7-9-25(33-23)36-3)17-32-24(35)15-22(20-5-4-12-31-16-20)26(10-11-26)27(28,29)30/h4-9,12-13,16,21-22H,10-11,14-15,17H2,1-3H3,(H,32,35)
InChIKeyFUXJOYVMZXFKGA-UHFFFAOYSA-N
MW500.57 g/mol
LogP4.74
Rot. Bonds10

About N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide

N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 175526169) has the molecular formula C27H31F3N4O2 and a molecular weight of 500.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID175526169
Molecular FormulaC27H31F3N4O2
Molecular Weight500.57 g/mol
Exact Mass500.24
IUPAC NameN-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCOc1ccc2cc(CC(CNC(=O)CC(c3cccnc3)C3(C(F)(F)F)CC3)N(C)C)ccc2n1
InChIInChI=1S/C27H31F3N4O2/c1-34(2)21(14-18-6-8-23-19(13-18)7-9-25(33-23)36-3)17-32-24(35)15-22(20-5-4-12-31-16-20)26(10-11-26)27(28,29)30/h4-9,12-13,16,21-22H,10-11,14-15,17H2,1-3H3,(H,32,35)
InChIKeyFUXJOYVMZXFKGA-UHFFFAOYSA-N
XLogP4.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 175526116
(3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025285
4-[(2S)-3-amino-2-(dimethylamino)propyl]phenol;N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 167573804
(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025401
(3R)-N-[(2S)-2-(dimethylamino)-3-[4-hydroxy-2-(trifluoromethyl)phenyl]propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025374
(3R)-N-[(2S)-3-(4-hydroxyphenyl)-2-methoxypropyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025599
4-[2-(dimethylamino)-3-[[3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 175526182
(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025636
4-[(2S)-2-(dimethylamino)-3-[[3-pyrimidin-5-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 166025323
(3S)-N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025397
(3S)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
CID 165404885
3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-ylpropanamide
CID 167562244

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 175526169) is N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide is COc1ccc2cc(CC(CNC(=O)CC(c3cccnc3)C3(C(F)(F)F)CC3)N(C)C)ccc2n1.
What is the InChIKey of N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is FUXJOYVMZXFKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N4O2/c1-34(2)21(14-18-6-8-23-19(13-18)7-9-25(33-23)36-3)17-32-24(35)15-22(20-5-4-12-31-16-20)26(10-11-26)27(28,29)30/h4-9,12-13,16,21-22H,10-11,14-15,17H2,1-3H3,(H,32,35).
What are the key properties of N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 500.57 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 175526169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).