3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide

C24H29F6N5O2 — CID 142300522

IUPAC3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide
SMILESC=C1C=C(C(=O)NCc2c(C(F)(F)F)cc(C)[nH]c2=O)C(C)=C(C(C)N2CCN(CC(F)(F)F)CC2)N1
InChIInChI=1S/C24H29F6N5O2/c1-13-9-17(21(36)31-11-18-19(24(28,29)30)10-14(2)33-22(18)37)15(3)20(32-13)16(4)35-7-5-34(6-8-35)12-23(25,26)27/h9-10,16,32H,1,5-8,11-12H2,2-4H3,(H,31,36)(H,33,37)
InChIKeyDFPZORLEXAZTMM-UHFFFAOYSA-N
MW533.52 g/mol
LogP3.20
Rot. Bonds6

About 3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide

3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide (PubChem CID 142300522) has the molecular formula C24H29F6N5O2 and a molecular weight of 533.52 g/mol. Its IUPAC name is 3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide
PubChem CID142300522
Molecular FormulaC24H29F6N5O2
Molecular Weight533.52 g/mol
Exact Mass533.22
IUPAC Name3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide
SMILESC=C1C=C(C(=O)NCc2c(C(F)(F)F)cc(C)[nH]c2=O)C(C)=C(C(C)N2CCN(CC(F)(F)F)CC2)N1
InChIInChI=1S/C24H29F6N5O2/c1-13-9-17(21(36)31-11-18-19(24(28,29)30)10-14(2)33-22(18)37)15(3)20(32-13)16(4)35-7-5-34(6-8-35)12-23(25,26)27/h9-10,16,32H,1,5-8,11-12H2,2-4H3,(H,31,36)(H,33,37)
InChIKeyDFPZORLEXAZTMM-UHFFFAOYSA-N
XLogP3.20
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.52
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-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

N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide
CID 97611746
6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 59718858
2-[(Z,5S)-5-aminohept-3-enoyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane
CID 143085694
N-[1-[3-(3,3-difluoropiperidin-1-yl)propyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 168075977
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8243624
4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 71984219
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 72060906
3-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 119399147
1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811165
4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 120811240
4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 120811241
4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 120811896

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide?
The IUPAC name of 3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide (CID 142300522) is 3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide is C=C1C=C(C(=O)NCc2c(C(F)(F)F)cc(C)[nH]c2=O)C(C)=C(C(C)N2CCN(CC(F)(F)F)CC2)N1.
What is the InChIKey of 3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide?
The InChIKey is DFPZORLEXAZTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F6N5O2/c1-13-9-17(21(36)31-11-18-19(24(28,29)30)10-14(2)33-22(18)37)15(3)20(32-13)16(4)35-7-5-34(6-8-35)12-23(25,26)27/h9-10,16,32H,1,5-8,11-12H2,2-4H3,(H,31,36)(H,33,37).
What are the key properties of 3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide?
3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide has a molecular weight of 533.52 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylidene-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 142300522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).