N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide

C24H28F4N4O3 — CID 170257022

IUPACN-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide
SMILESCCCC(C(=O)N(C)c1cc(F)cc(C)c1N(C)CC=O)N(C=O)c1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C24H28F4N4O3/c1-6-7-19(32(14-34)21-12-17(24(26,27)28)11-16(3)29-21)23(35)31(5)20-13-18(25)10-15(2)22(20)30(4)8-9-33/h9-14,19H,6-8H2,1-5H3
InChIKeyGMINBJUQEAAUOQ-UHFFFAOYSA-N
MW496.51 g/mol
LogP4.29
Rot. Bonds10

About N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide

N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide (PubChem CID 170257022) has the molecular formula C24H28F4N4O3 and a molecular weight of 496.51 g/mol. Its IUPAC name is N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide.

Molecular Properties

Compound NameN-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide
PubChem CID170257022
Molecular FormulaC24H28F4N4O3
Molecular Weight496.51 g/mol
Exact Mass496.21
IUPAC NameN-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide
SMILESCCCC(C(=O)N(C)c1cc(F)cc(C)c1N(C)CC=O)N(C=O)c1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C24H28F4N4O3/c1-6-7-19(32(14-34)21-12-17(24(26,27)28)11-16(3)29-21)23(35)31(5)20-13-18(25)10-15(2)22(20)30(4)8-9-33/h9-14,19H,6-8H2,1-5H3
InChIKeyGMINBJUQEAAUOQ-UHFFFAOYSA-N
XLogP4.29
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide?
The IUPAC name of N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide (CID 170257022) is N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide.
What is the SMILES notation for N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide?
The canonical SMILES for N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide is CCCC(C(=O)N(C)c1cc(F)cc(C)c1N(C)CC=O)N(C=O)c1cc(C(F)(F)F)cc(C)n1.
What is the InChIKey of N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide?
The InChIKey is GMINBJUQEAAUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O3/c1-6-7-19(32(14-34)21-12-17(24(26,27)28)11-16(3)29-21)23(35)31(5)20-13-18(25)10-15(2)22(20)30(4)8-9-33/h9-14,19H,6-8H2,1-5H3.
What are the key properties of N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide?
N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide has a molecular weight of 496.51 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-3-methyl-2-[methyl(2-oxoethyl)amino]phenyl]-2-[formyl-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-N-methylpentanamide is sourced from PubChem (CID 170257022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).