6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde

C24H23F5N4O2 — CID 177333890

IUPAC6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde
SMILESCCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)c(NCc2ccc(=O)n(C)c2)c1C=O
InChIInChI=1S/C24H23F5N4O2/c1-4-5-17-15(11-34)22(31-9-13-6-7-18(35)33(3)10-13)21(26)23(32-17)14-8-16(30)20(25)12(2)19(14)24(27,28)29/h6-8,10-11H,4-5,9,30H2,1-3H3,(H,31,32)
InChIKeyBESLVFZCWSVXIK-UHFFFAOYSA-N
MW494.46 g/mol
LogP5.01
Rot. Bonds7

About 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde

6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde (PubChem CID 177333890) has the molecular formula C24H23F5N4O2 and a molecular weight of 494.46 g/mol. Its IUPAC name is 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde
PubChem CID177333890
Molecular FormulaC24H23F5N4O2
Molecular Weight494.46 g/mol
Exact Mass494.17
IUPAC Name6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde
SMILESCCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)c(NCc2ccc(=O)n(C)c2)c1C=O
InChIInChI=1S/C24H23F5N4O2/c1-4-5-17-15(11-34)22(31-9-13-6-7-18(35)33(3)10-13)21(26)23(32-17)14-8-16(30)20(25)12(2)19(14)24(27,28)29/h6-8,10-11H,4-5,9,30H2,1-3H3,(H,31,32)
InChIKeyBESLVFZCWSVXIK-UHFFFAOYSA-N
XLogP5.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.46
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde 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

2-Methyl-4-(2-fluoro-6-trifluoromethylbenzylamino)quinoline-8-carboxamide
CID 122185975
6-(3-fluorophenyl)-N-methyl-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 23728661
N-[3,5-Bis(trifluoromethyl)benzyl]-2,6-dimethyl-4-phenylnicotinamide
CID 54585203
1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide
CID 57400588
2-Methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide
CID 122185954
N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-oxo-6H-1,6-naphthyridine-2-carboxamide
CID 68011446
US10081629, Example 59
CID 118466440
2-methyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 9969955
4-o-Tolyl-1',2',3',6'-tetrahydro-[2,4']bipyridinyl-5-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 10302116
2-ethyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 44404425
N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 44404426
N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 46068384

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde?
The IUPAC name of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde (CID 177333890) is 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde?
The canonical SMILES for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde is CCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)c(NCc2ccc(=O)n(C)c2)c1C=O.
What is the InChIKey of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde?
The InChIKey is BESLVFZCWSVXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5N4O2/c1-4-5-17-15(11-34)22(31-9-13-6-7-18(35)33(3)10-13)21(26)23(32-17)14-8-16(30)20(25)12(2)19(14)24(27,28)29/h6-8,10-11H,4-5,9,30H2,1-3H3,(H,31,32).
What are the key properties of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde?
6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde has a molecular weight of 494.46 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde is sourced from PubChem (CID 177333890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).