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

C24H27F2N5O2 — CID 159172405

IUPAC6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)F)CC3)cc2CC1=O
InChIInChI=1S/C24H27F2N5O2/c1-3-17-21(32)13-16-12-15(4-5-18(16)28-17)14-30-8-10-31(11-9-30)20-7-6-19(24(33)27-2)29-22(20)23(25)26/h4-7,12,23H,3,8-11,13-14H2,1-2H3,(H,27,33)
InChIKeyYIRAMDIDGOGYFH-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.31
Rot. Bonds6

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

6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 159172405) has the molecular formula C24H27F2N5O2 and a molecular weight of 455.51 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID159172405
Molecular FormulaC24H27F2N5O2
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)F)CC3)cc2CC1=O
InChIInChI=1S/C24H27F2N5O2/c1-3-17-21(32)13-16-12-15(4-5-18(16)28-17)14-30-8-10-31(11-9-30)20-7-6-19(24(33)27-2)29-22(20)23(25)26/h4-7,12,23H,3,8-11,13-14H2,1-2H3,(H,27,33)
InChIKeyYIRAMDIDGOGYFH-UHFFFAOYSA-N
XLogP3.31
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-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

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 6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 159172405) is 6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)F)CC3)cc2CC1=O.
What is the InChIKey of 6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is YIRAMDIDGOGYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2/c1-3-17-21(32)13-16-12-15(4-5-18(16)28-17)14-30-8-10-31(11-9-30)20-7-6-19(24(33)27-2)29-22(20)23(25)26/h4-7,12,23H,3,8-11,13-14H2,1-2H3,(H,27,33).
What are the key properties of 6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 159172405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).