5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide

C24H26F3N5O2 — CID 158016602

IUPAC5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)(F)F)CC3)cc2CC1=O
InChIInChI=1S/C24H26F3N5O2/c1-3-17-21(33)13-16-12-15(4-5-18(16)29-17)14-31-8-10-32(11-9-31)20-7-6-19(23(34)28-2)30-22(20)24(25,26)27/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,28,34)
InChIKeyVRESMOYYRFIBFY-UHFFFAOYSA-N
MW473.50 g/mol
LogP3.39
Rot. Bonds5

About 5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide

5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 158016602) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID158016602
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Name5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)(F)F)CC3)cc2CC1=O
InChIInChI=1S/C24H26F3N5O2/c1-3-17-21(33)13-16-12-15(4-5-18(16)29-17)14-31-8-10-32(11-9-31)20-7-6-19(23(34)28-2)30-22(20)24(25,26)27/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,28,34)
InChIKeyVRESMOYYRFIBFY-UHFFFAOYSA-N
XLogP3.39
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Azd9574
CID 162524593
N-(3-methylbutyl)-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide
CID 11351351
N-phenethyl-5-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)picolinamide
CID 11375090
(e)-n-Hydroxy-3-(6-{(e)-3-[4-(4-methyl-piperazin-1-yl)-phenyl]-3-oxo-propenyl}-pyridin-2-yl)-acrylamide
CID 25183354
6-[1-[4-(Trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]pyridine-2-carboxamide
CID 118255633
6-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carboxamide
CID 118255648
6-[1-[4-(Trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,4-benzodiazepin-7-yl]pyridine-2-carboxamide
CID 118255663
6-[4-methyl-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepin-7-yl]pyridine-2-carboxamide
CID 118267016
6-[4-acetyl-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepin-7-yl]pyridine-2-carboxamide
CID 118267018
N-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-6-(4-fluorophenyl)-N,2-dimethylpyridine-3-carboxamide
CID 23728544
6-(3-fluorophenyl)-N,2-dimethyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 23729106
N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 72703210

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide (CID 158016602) is 5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide is CCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)(F)F)CC3)cc2CC1=O.
What is the InChIKey of 5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is VRESMOYYRFIBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-3-17-21(33)13-16-12-15(4-5-18(16)29-17)14-31-8-10-32(11-9-31)20-7-6-19(23(34)28-2)30-22(20)24(25,26)27/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,28,34).
What are the key properties of 5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide?
5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 158016602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).